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We show that ultrafast optical pump pulses provide effective control over charge orders in the kagome metals $A$V$_3$Sb$_5$ with $A=$ K, Rb, and Cs. Starting from the real charge density waves (rCDWs) at the $p$-type Van Hove singularity, we conduct a thorough analysis of the post-pump dynamics by time-dependent Hartree-Fock theory. Our analysis uncovers distinct dynamical phenomena under linearly and circularly polarized pumps. Linearly polarized pumps induce directional preferences in the rCDWs, accompanied by an enhancement in the flat band. Unexpectedly, charge nematicity also emerges and receives maximal enhancement at a resonant pump frequency, which we understand with a Rabi-oscillation-like model. On the other hand, circularly polarized pumps suppress the rCDWs uniformly and triggers imaginary CDWs (iCDWs) with charge loop currents. Our results can be directly compared to the pump-probe experiments on the kagome metals $A$V$_3$Sb$_5$., Comment: 7+19 pages, 6+7 figures

The integration of superconducting niobium and tantalum into superconducting quantum devices has been increasingly explored over the past few years. Recent developments have shown that two-level-systems (TLS) in the surface oxides of these superconducting films are a leading source of decoherence in quantum circuits, and understanding the surface oxidation kinetics of these materials is key to enabling scalability of these technologies. We analyze the nature of atmospheric oxidation of both niobium and a-tantalum surfaces at time scales relevant to fabrication, from sub-minute to two-week atmospheric exposure, employing a combination of x-ray photoelectron spectroscopy and transmission electron microscopy to monitor the growth of the surface oxides. The oxidation kinetics are modeled according to the Cabrera-Mott model of surface oxidation, and the model growth parameters are reported for both films. Our results indicate that niobium surface oxidation follows a consistent regime of inverse logarithmic growth for the entire time scale of the study, whereas a-Ta surface oxidation shows a clear transition between two inverse logarithmic growth regimes at time t = 1 hour, associated with the re-coordination of the surface oxide as determined by x-ray photoelectron spectroscopy analysis. Our findings provide a more complete understanding of the differences in atmospheric surface oxidation between Nb and a-Ta, particularly at short time scales, paving the way for the development of more robust fabrication control for quantum computing architectures., Comment: 15 pages, 5 figures, 4 embedded tables

This study investigates methods for controlling the physical properties of the intrinsic magnetic topological insulator MnBi$_2$Te$_4$ (MBT) by substituting Mn with Pb in Mn$_{1-x}$Pb$_x$Bi$_2$Te$_4$ (MPBT) solid solutions. This substitution enables tunable magnetic and electronic properties. Using various angle-resolved photoemission spectroscopy (ARPES) techniques, including spin-resolved and circular dichroism (CD) measurements, we analyzed the evolution of the electronic structure across different Pb concentrations, with a focus on topological phase transitions (TPT) near x = 50 %. Key indicators of TPT include the presence or absence of topological surface states (TSS) and bulk band gap closure. The results show a gradual decrease of the bulk band gap in the electronic structure of MPBT up to x = 40 %, where it nearly vanishes, followed by a constant gap value between 40 - 60 %, and its reopening above 80 %, which is accompanied by a transition of the electronic structure of MPBT to a PbBi$_2$Te$_4$-like electronic structure. TSS were observed at x less than 30 % and greater than 80 %, as confirmed by CD and spin-resolved ARPES data, but were absent near x = 55 %, suggesting a distinct topological phase - possibly semi-metallic or a trivial insulator with a narrow gap phase. These findings demonstrate the tunability of the electronic structure of MPBT, making it a promising candidate for topological and spintronic applications.

Bending the edge of a thin elastic material promotes rigidity far from its clamped boundary. However, this curvature-induced rigidity can be overwhelmed by gravity or other external loading, resulting in elastic buckling and large deformations. We consider the role of body geometry on this competition using experiments, numerical simulations, and reduced-order models. Finite element simulations are performed using a model nonlinear hyperelastic material, and a theoretical framework is proposed that incorporates small lateral curvatures, large longitudinal rotations, and a varying cross-sectional width. A particular focus is on the comparison between rectangular and triangular sheets, and trapezoidal sheets in between. Sheet geometry affects downward tip deflection by changing the relative importance of the sheet's weight and the rigidity provided by curvature, often in subtle ways. In extreme cases, non-monotonic deflection is observed with increasing sheet length, and a region of hysteretic bistability emerges, becoming more pronounced with rectangular sheets and large imposed curvatures. These findings demonstrate the profound impact of geometry on the competition between curvature-induced rigidity and gravity-induced deformation in thin elastic materials., Comment: 17 pages, 10 figures

Grain boundaries (GBs) trigger structure-specific chemical segregation of solute atoms. According to the three-dimensional (3D) topology of grains, GBs - although defined as planar defects - cannot be free of curvature. This implies formation of topologically-necessary arrays of secondary GB dislocations. We report here that these pattern-forming secondary GB dislocations can have an additional and, in some cases, even a much stronger effect on GB segregation than defect-free GBs. Using nanoscale correlative tomography combining crystallography and chemical analysis, we quantified the relationship between secondary GB dislocations and their segregation energy spectra for a model Fe-W alloy. This discovery unlocks new design opportunities for advanced materials, leveraging the additional degrees of freedom provided by topologically-necessary secondary GB dislocations to modulate segregation.

In this work, the long-sought cg-N with N-N single bond has been synthesized for the first time by a thermal-driven-only chemical route at ambient conditions. The successful synthesis of cg-N was achieved by first creating a solution of azides, which was then pretreated under vacuum conditions. Following the pretreatment, the resultant concentrated azide was heated at temperatures ranging from 260{\deg}C to 330{\deg}C for a reaction time of 3 hours, ultimately leading to the formation of cg-N. The emergent intense Raman peak characterized of cg-N provides solid evidence that the double bonded nitrogen-nitrogen transforms into a single bond form, which agrees well with cg-N structure. To date, this is the only work achieving the quantity of cg-N synthesized at ambient conditions by a facile route that can be further developed for the scalable synthesis and applications of polymerized nitrogen-based materials as high energy density materials., Comment: 13 pages, 5 figures, 1 table, accepted for publication in Science Bulletin

The B-Pt alloy system contains several Pt-rich phases exhibiting complex structures, many with partial site occupation. It also exhibits a deep (nearly 1000 degrees C) eutectic. We evaluate the ab-initio total energies of the crystalline solids to clarify the identity and character of the phases. Our work identifies inconsistencies in materials databases such as the Inorganic Crystallographic Structure Database and the ASM Phase Diagram Database, but our total energy calculations allow us to match up experimentally reported stable phases with specific structures. High temperature Gibbs free energy calculations in the liquid and solid states at the composition Pt$_2$B reveal that the depth of the eutectic arises from the low energy and high entropy of the liquid state., Comment: Proceedings of ISBB 2024

The obtention of quantum-grade rare-earth doped oxide thin films that can be integrated with optical cavities and microwave resonators is of great interest for the development of scalable quantum devices. Among the different growth methods, Chemical Vapour Deposition (CVD) offers high flexibility and has demonstrated the ability to produce oxide films hosting rare-earth ions with narrow linewidths. However, growing epitaxial films directly on silicon is challenging by CVD due to a native amorphous oxide layer formation at the interface. In this manuscript, we investigate the CVD growth of erbium-doped yttrium oxide (Er:Y2O3) thin films on different substrates, including silicon, sapphire, quartz or yttria stabilized zirconia (YSZ). Alternatively, growth was also attempted on an epitaxial Y2O3 template layer on Si (111) prepared by molecular beam epitaxy (MBE) in order to circumvent the issue of the amorphous interlayer. We found that the substrate impacts the film morphology and the crystalline orientations, with different textures observed for the CVD film on the MBE-oxide/Si template (111) and epitaxial growth on YSZ (001). In terms of optical properties, Er3+ ions exhibit visible and IR emission features that are comparable for all samples, indicating a high-quality local crystalline environment regardless of the substrate. Our approach opens interesting prospects to integrate such films into scalable devices for optical quantum technologies., Comment: 15 pages, 8 figures, 2 tables

The dissociative photoionization of \textit{tert}-butyl methyl methacrylate, a monomer unit found in many ESCAP resists, was investigated in a gas phase photoelectron photoion coincidence experiment employing extreme ultraviolet (EUV) synchrotron radiation at 13.5 nm. It was found that the interaction of EUV photons with the molecules leads almost exclusively to dissociation. However, the ionization can also directly deprotect the ester function, thus inducing the solubility switch wanted in a resist film. These results serve as a building block to reconstruct the full picture of the mechanism in widely used chemically amplified resist thin films, provide a knob to tailor more performant resist materials, and will aid interpreting advanced ultrafast time-resolved experiments.

Hybrid lattice-light modes, known as phonon-polaritons, represent the backbone of advanced protocols based on THz pumping of infrared modes. Here we provide a theoretical framework able to capture the different roles played by phonon-polaritons in experimental protocols based either on Raman-like pump and probe schemes, typical of four-wave-mixing processes, or on THz pump-visible probe three-wave mixing protocols. By using a many-body description of the nonlinear optical kernel, along with a perturbative solution of nonlinear Maxwell's equations, we highlight the advantages of exploiting broadband THz pumps to enlarge the phase space of the phonon-polariton dispersion accessible in a single experiment. Besides providing a quantitative description of existing and future experiments, our results offer a general framework for the theoretical modeling of the hybridization between light and lattice degrees of freedom in time-resolved experiments.

Near-beta titanium alloys have shown low Young's modulus and good strength, making them excellent implant candidates. However, their processing using thermomechanical routes in single phase beta region results in heterogeneous microstructures due to high content alloying elements and consequent slow diffusion-controlled processes such as dynamic recovery. This study investigates the deformation behaviour of a Ti-15Mo alloy through hot compression experiments using a Gleeble 3800 device in the single beta domain at strain rates from 0.01 s-1 to 10 s-1, reaching final strains of 0.50 and 0.85 followed by immediate water quench. The findings show that the material presents a low strain rate sensitivity. The flow curves show significant strain hardening before reaching a steady-state regime, particularly at high strain rates. The strain hardening exponent calculations support the effect of molybdenum on retarding softening mechanisms such as dynamic recovery. Electron backscatter diffraction (EBSD) measurements of deformed samples revealed that dynamic recovery is the primary restoration mechanism, with continuous and geometric dynamic recrystallisation evidence. Due to the slow restoration process, we observe the subgrain formation for different deformation parameters. Therefore, we introduced an EBSD-based method to quantify dynamic recovery and subgrain size. We concluded that dynamic recovery and dynamic recrystallisation decrease as the strain rate increases with minimal variation at higher strain rates., Comment: 21 pages, 12 figures, 61 references, Submitted to Journal of Materials Research and Technology

Recently, the altermagnets, a new kind of colinear antiferromagnet with zero net magnetization and momentum-dependent spin-splitting of bands, have sparked great interest. Despite simple magnetic structures, these altermagnets exhibit intriguing and intricate dependence of AHE on the N\'eel vector, in contrast to the conventional perpendicular configuration of Hall current with magnetization in ferromagnets. However, the relationship between the AHE and the N\'eel vector remains largely elusive. Here, we propose an "extrinsic parameter" method and further reveal diverse unconventional anomalous Hall textures in the N\'eel vector space, dubbed anomalous-Hall N\'eel textures (AHNTs), for altermagnets. Notably, we find that AHNTs resemble the spin textures in momentum space, and identify 10 types across four categories of AHNTs in altermagnets. Meanwhile, we examine our key discoveries in prototypical altermagnets. Our work can offer a methodology for detecting N\'eel vectors via anomalous Hall transport, and provide useful guidelines for designing electronic and optoelectronic devices based on altermagnets.

Important advances have recently been made in the search for materials with complex multi-phase landscapes that host photoinduced metastable collective states with exotic functionalities. In almost all cases so far, the desired phases are accessed by exploiting light-matter interactions via the imaginary part of the dielectric function through above-bandgap or resonant mode excitation. Nonresonant Raman excitation of coherent modes has been experimentally observed and proposed for dynamic material control, but the resulting atomic excursion has been limited to perturbative levels. Here, we demonstrate that it is possible to overcome this challenge by employing nonresonant ultrashort pulses with low photon energies well below the bandgap. Using mid-infrared pulses, we induce ferroelectric reversal in lithium niobate and phase switching in tin selenide and characterize the large-amplitude mode displacements through femtosecond Raman scattering, second harmonic generation, and x-ray diffraction. This approach, validated by first-principle calculations, defines a novel method for synthesizing hidden phases with unique functional properties and manipulating complex energy landscapes at reduced energy consumption and ultrafast speeds., Comment: 5 figures

Artificial Intelligence (AI) in materials science is driving significant advancements in the discovery of advanced materials for energy applications. The recent GNoME protocol identifies over 380,000 novel stable crystals. From this, we identify over 33,000 materials with potential as energy materials forming the Energy-GNoME database. Leveraging Machine Learning (ML) and Deep Learning (DL) tools, our protocol mitigates cross-domain data bias using feature spaces to identify potential candidates for thermoelectric materials, novel battery cathodes, and novel perovskites. Classifiers with both structural and compositional features identify domains of applicability, where we expect enhanced accuracy of the regressors. Such regressors are trained to predict key materials properties like, thermoelectric figure of merit (zT), band gap (Eg), and cathode voltage ($\Delta V_c$). This method significantly narrows the pool of potential candidates, serving as an efficient guide for experimental and computational chemistry investigations and accelerating the discovery of materials suited for electricity generation, energy storage and conversion., Comment: 60 pages, 16 figures

The introduction of machine learned potentials (MLPs) has greatly expanded the space available for studying Nuclear Quantum Effects computationally with ab initio path integral (PI) accuracy, with the MLPs' promise of an accuracy comparable to that of ab initio at a fraction of the cost. One of the challenges in development of MLPs is the need for a large and diverse training set calculated by ab initio methods. This data set should ideally cover the entire phase space, while not searching this space using ab initio methods, as this would be counterproductive and generally intractable with respect to computational time.In this paper, we present the self-learning PI hybrid Monte Carlo Method using a mixed ab initio and ML potential (SL-PIHMC-MIX), where the mixed potential allows for the study of larger systems and the extension of the original SL-HMC method [Nagai et al., Phys. Rev. B 102, 041124 (2020)] to PI methods and larger systems. While the MLPs generated by this method can be directly applied to run long-time ML-PIMD simulations, we demonstrate that using PIHMC-MIX with the trained MLPs allows for an exact reproduction of the structure obtained from ab initio PIMD. Specifically, we find that the PIHMC-MIX simulations require only 5,000 evaluations of the 32-bead structure, compared to the 100,000 evaluations needed for the ab initio PIMD result., Comment: 44 pages, 9 figures and 25 pages supplemental materials, accepted in J. Chem. Phys

A new era for energy storage devices, such as rechargeable batteries, has been opened in the last decades. However, commercially available energy storage devices are based mainly on critical elements such as Li, Co, Mn, P, Ni, and graphite opening sustainability concerns for the industry and society. Yet, these elements are crucial for both, battery cells as well as for electrode and electrolyte material properties. New research directions point toward the development of materials free of such critical elements, but unfortunately often at the price of lower performance. In the present work, we study the interlink between sustainability and properties at both, material and battery cell levels of Li-ion batteries (LIBs) and Na-ion batteries (SIBs). Sustainability factors, such as supply and environmental risks, are assessed based on the critical element content in the cells and the individual risks associated with these materials. Although LIB cells exhibit superior energy density compared to their Na-ion counterparts, their sustainability is compromised by the consumption of Li and graphite. SIBs do not work with graphite-like LIBs due to the difficulty of intercalating Na within the structure of graphite. They work with other carbonaceous materials that can be produced in a sustainable way from biomass. Moreover, the composition of cathode materials significantly influences the sustainability of SIBs cells, with cells containing P and V presenting notable supply and environmental concerns. SIBs, with cathodes such as a layered typed Na-metal oxide which contains Ni and Mn as redox centers and anodes such as hard carbon, demonstrate exceptional sustainability scores. Their potential energy densities are projected to match that of a LiFePO4 (LFP)-based LIB, making them increasingly attractive for commercial applications., Comment: no comments

Modern semiconductor applications demand precise laser processing at the nanometer scale, requiring a detailed understanding of phase transitions and structural modifications. Accurate control over laser-induced processes in semiconductors is essential for generating surface structures and modifying surface properties. In this study, we present a numerical investigation of non-equilibrium laser-induced phase transitions in silicon (Si) using a hybrid atomistic-continuum model. The model combines the strengths of Molecular Dynamics (MD) simulations for atomisticscale descriptions of non-equilibrium phase transitions with a continuum approach to account for laser-generated free carriers. This framework captures the generation and diffusion of electronhole pairs, thermal diffusion, and electron-phonon coupling during laser energy deposition. We apply the model to determine the melting depth as a function of fluence for a 100 fs laser pulse at 800 nm. The results show that the stand-alone continuum approach underestimates the melting threshold compared to the hybrid atomistic-continuum model, which incorporates the detailed kinetics of melting. Additionally, we explore the effect of crystal orientation on melting dynamics. Lastly, the MD model is used to identify the conditions leading to the amorphization of the Si surface. These findings provide valuable insights into experimental observations of Si surface structuring induced by ultrashort laser pulses.

We investigate the thermal Hall effect in the Shastry-Sutherland model, incorporating interactions between quasiparticle excitations. In this model, with strong nearest-neighbor interactions, the ground state is well described by the direct product of spin-singlet states, and the elementary excitations to spin-triplet states are known as triplons. In candidate materials for this model, Dzyaloshinskii-Moriya interactions are inevitably present, resulting in topologically non-trivial band structures for triplon excitations. In this study, we examine quasiparticle damping due to triplon-triplon interactions as a potential factor contributing to the suppression of the thermal Hall effect. We apply nonlinear flavor-wave theory to the Shastry-Sutherland model and treat triplons as bosonic excitations. We calculate the triplon damping rate using the imaginary Dyson equation approach and evaluate the thermal Hall conductivity. Our findings demonstrate that triplons with nonzero Berry curvature are scattered by thermally excited triplons. This scattering effect suppresses the thermal Hall conductivity, particularly at finite temperatures, highlighting the significant role of triplon damping in the thermal Hall effect., Comment: 11 pages, 6 figures

Miniaturization of electronic components has led to overheating, increasing power consumption and causing early circuit failures. Conventional heat dissipation methods are becoming inadequate due to limited surface area and higher short-circuit risks. This study presents a fast, low-cost, and scalable technique using 2D hexagonal boron nitride (hBN) coatings to enhance heat dissipation in commercial electronics. Inexpensive hBN layers, applied by drop casting or spray coating, boost thermal conductivity at IC surfaces from below 0.3 W/m-K to 260 W/m-K, resulting in over double the heat flux and convective heat transfer. This significantly reduces operating temperatures and power consumption, as demonstrated by a 17.4% reduction in a coated audio amplifier circuit board. Density functional theory indicates enhanced interaction between 2D hBN and packaging materials as a key factor. This approach promises substantial energy and cost savings for large-scale electronics without altering existing manufacturing processes., Comment: 27 Pages, 5 Figures

Self-assembly of nanoscale synthetic subunits is a promising bottom-up strategy for fabrication of functional materials. Here, we introduce a design principle for DNA origami nanoparticles of 50-nm size, exploiting modularity, to make a family of versatile subunits that can target an abundant variety of self-assembled structures. The subunits are based on a core module that remains constant among all the subunits. Variable bond modules and angle modules are added to the exterior of the core to control interaction specificity, strength and structural geometry. A series of subunits with designed bond/angle modules are demonstrated to self-assemble into a rich variety of structures with different Gaussian curvatures, exemplified by sheets, spherical shells, and tubes. The design features flexible joints implemented using single-stranded angle modules between adjacent subunits whose mechanical properties, such as bending elastic moduli, are inferred from cryo-EM. Our findings suggest that incorporating a judicious amount of flexibility in the bond provides error tolerances in design and fabrication while still guaranteeing target fidelity. Lastly, while increasing flexibility could introduce greater variability and potential errors in assembly, these effects can be counterbalanced by increasing the number of distinct bonds, thereby allowing for precise targeting of specific structural binding angles within a broad range of configurations., Comment: 43 pages, 4 main figures, 9 supplementary figures

The study of twisted two-dimensional (2D) materials, where twisting layers create moir\'e superlattices, has opened new opportunities for investigating topological phases and strongly correlated physics. While systems such as twisted bilayer graphene (TBG) and twisted transition metal dichalcogenides (TMDs) have been extensively studied, the broader potential of a seemingly infinite set of other twistable 2D materials remains largely unexplored. In this paper, we define "theoretically twistable materials" as single- or multi-layer structures that allow for the construction of simple continuum models of their moir\'e structures. This excludes, for example, materials with a "spaghetti" of bands or those with numerous crossing points at the Fermi level, for which theoretical moir\'e modeling is unfeasible. We present a high-throughput algorithm that systematically searches for theoretically twistable semimetals and insulators based on the Topological 2D Materials Database. By analyzing key electronic properties, we identify thousands of new candidate materials that could host rich topological and strongly correlated phenomena when twisted. We propose representative twistable materials for realizing different types of moir\'e systems, including materials with different Bravais lattices, valleys, and strength of spin-orbital coupling. We provide examples of crystal growth for several of these materials and showcase twisted bilayer band structures along with simplified twisted continuum models. Our results significantly broaden the scope of moir\'e heterostructures and provide a valuable resource for future experimental and theoretical studies on novel moir\'e systems., Comment: 15+81 pages, 5+187 figures, 4+104 tables. The Topological 2D Materials Database is available at https://topologicalquantumchemistry.com/topo2d/index.html . See also the accompanying paper "Two-dimensional Topological Quantum Chemistry and Catalog of Topological Materials"

Rare-earth magnets with parent cubic symmetry exhibit unique topological properties. However, the origin of these behaviors remains presently unclear. Here, we develop minimal models for Dirac semimetals (DSMs) with accidental band crossings and higher-order topology in cubic systems, incorporating candidate magnetic order to analyze bulk, surface, and hinge state characteristics. In certain cubic-symmetric DSMs, we identify an effective Z2 chiral symmetry which significantly impacts surface and hinge-localized states. Our results highlight distinct features in surface state dispersions, Fermi arcs, polarization dependence, and band splitting that correlate with photoemission data in rare-earth monopnictides. We also suggest candidate materials and experimental tests for further validation. These findings advance our understanding of surface states in rare-earth magnets with parent cubic symmetries and illuminate the role of DSM physics in these systems., Comment: 13 pages, 7 figures

Van der Waals layered ferromagnetic compounds with high two-dimensional electronic conductivity holds strong potential for quantum computing, future unconventional superconductors, catalysts, batteries, and fuel cells. We suggest a minimal theoretical model to understand the magnetic properties of the metal-organic framework CrCl$_2$(pyz)$_2$ (pyz=pyrazine). Using a Hubbard model we show that the groundstate is dominated by a specific configuration of delocalized electrons on the pyz sites with a ferrimagnetic coupling to the localized spins on the Cr sites. This model suggests a magnetic moment of $2\mu_B$ which is remarkably close to the experimental value of $1.8 \mu_B$ [K. S. Pedersen et al., Nat. Chem. 10, 1056-1061 (2018)]. From Weiss mean-field theory we predict a weak ferromagnetic Cr-Cr coupling of $\approx 0.9$ meV. This is consolidated by second order perturbation theory of the RKKY interaction yielding a Cr-Cr coupling of $\approx 5$ meV. Understanding the interactions in these types of compounds can facilitate designs of metal-organic compounds with tailored magnetic properties., Comment: 6+13 pages, 5+5 figures

Water's unique hydrogen-bonding network and anomalous properties present significant challenges for accurately modeling its structural, thermodynamic, and transport behavior across varied conditions. Although machine-learned potentials have advanced the prediction of individual properties, a unified computational framework capable of simultaneously capturing water's complex and subtle properties with high accuracy has remained elusive. Here, we address this challenge by introducing NEP-MB-pol, a highly accurate and efficient neuroevolution potential trained on extensive MB-pol reference data with coupled-cluster-level accuracy, combined with path-integral molecular dynamics and quantum-correction techniques to incorporate nuclear quantum effects. This NEP-MB-pol framework reproduces experimentally measured structural, thermodynamic, and transport properties of water across a broad temperature range, achieving simultaneous, fast, and accurate prediction of self-diffusion coefficient, viscosity, and thermal conductivity. Our approach provides a unified and robust tool for exploring thermodynamic and transport properties of water under diverse conditions, with significant potential for broader applications across research fields., Comment: 12 pages, 4 figures in the main text; 8 figures in the SI

The gain-voltage dependence for SiPMs from Ref.1 is reanalyzed and a non-linearity at the sub-percent level is observed. Simulations show that the non-linearity can be explained by the increase of the depletion depth of the avalanche region with over-voltage. A consequence of the non-linearity is that the voltage at which the discharge stops is systematically underestimated if a linear extrapolation is used., Comment: 6 pages, 5 figures, 1 appendix

We report on a comprehensive thermodynamic study of a quasi-two-dimensional (quasi-2D) quantum magnet Cu$_2$(OH)$_3$Br which in the 2D layer can be viewed as strongly coupled alternating antiferromagnetic and ferromagnetic chains. In an applied magnetic field transverse to the ordered spins below $T_N=9.3$ K, a field-induced phase transition from the 3D ordered to a disordered phase occurs at $B_c=16.3$ T for the lowest temperature, which is featured by an onset of a one-half plateau-like magnetization. By performing quantum Monte Carlo simulations of the relevant 2D model, we find that the plateau-like magnetization corresponds to a partial symmetry restoration and the full polarization in the ferromagnetic chains. Our numerical simulations also show that the magnetization saturation occurs with full symmetry restoration at a much higher field of $B_s \simeq 95$ T, corresponding to a 1D quantum phase transition in the antiferromagnetic chains. We argue that the experimentally observed field-induced phase transition at $B_c$ follows from the partial symmetry restoration and the concomitant dimensional reduction., Comment: 6 pages, 4 figures

The work reports nonmagnetic behavior (0.04 $\mu$B) in two-dimensional (2D) V2C-OF MXene and ferromagnetism in MnO$_2$ adsorbed V2C-OF MXene. The density functional theory (DFT) calculations were carried out to study the magnetic moments of V$_2$C-OF and MnO$_2$@V$_2$C-OF MXene. The MXene, which is derived from the exfoliation of its parent V$_2$AlC MAX phase, shows a good potential to be a ferromagnetic when MnO$_2$ is adsorbed on it. The V$_2$C MXene and MnO$_2$ adsorbed V$_2$C MXene were successfully synthesized, as characterized using X-ray diffraction, showing an increased c-lattice parameter from 22.6{\AA} to 27.2{\AA} after MnO$_2$ adsorption. The DFT study confirmed that MnO$_2$ adsorbed V$_2$C MXene changed from nonmagnetic (in V$_2$C MXene) to a strong ferromagnetic with a magnetic moment of 4.48$\mu$B for Mn adsorbed V$_2$C-OF MXene. The current work is a step-forward towards understanding of magnetism in two-dimensional materials for future 2D spintronics.

We present here a real-time analysis of diffraction images acquired at high frame-rate (925 Hz) and its application to macromolecular serial crystallography. The software uses a new signal separation algorithm, able to distinguish the amorphous (or powder diffraction) component from the diffraction signal originating from single crystals. It relies on the ability to work efficiently in azimuthal space and derives from the work performed on pyFAI, the fast azimuthal integration library. Two applications are built upon this separation algorithm: a lossy compression algorithm and a peak-picking algorithm; the performances of both is assessed by comparing data quality after reduction with XDS and CrystFEL., Comment: 43 pages, 12 figures

Experiments on quantum materials have uncovered many interesting quantum phases ranging from superconductivity to a variety of topological quantum matter including the recently observed fractional quantum anomalous Hall insulators. The findings have come in parallel with the development of approaches to probe the rich excitations inherent in such systems. In contrast to observing electrically charged excitations, the detection of charge-neutral electronic excitations in condensed matter remains difficult, though they are essential to understanding a large class of strongly correlated phases. Low-energy neutral excitations are especially important in characterizing unconventional phases featuring electron fractionalization, such as quantum spin liquids, spin ices, and insulators with neutral Fermi surfaces. In this perspective, we discuss searches for neutral fermionic, bosonic, or anyonic excitations in unconventional insulators, highlighting theoretical and experimental progress in probing excitonic insulators, new quantum spin liquid candidates and emergent correlated insulators based on two-dimensional layered crystals and moir\'e materials. We outline the promises and challenges in probing and utilizing quantum insulators, and discuss exciting new opportunities for future advancements offered by ideas rooted in next-generation quantum materials, devices, and experimental schemes., Comment: 23 pages, 4 figures; A Perspective/Review Article published in Nature

Moir\'e patterns, typically formed by overlaying two layers of two-dimensional materials, exhibit an effective long-range periodicity that depends on the short-range periodicity of each layer and their spatial misalignment. Here, we study moir\'e patterns in objective structures with symmetries different from those in conventional patterns such as twisted bilayer graphene. Specifically, the mathematical descriptions for ring patterns, 2D Bravais lattice patterns, and helical patterns are derived analytically as representative examples of objective moir\'e patterns, using an augmented Fourier approach. Our findings reveal that the objective moir\'e patterns retain the symmetries of their original structures but with different parameters. In addition, we present a non-objective case, conformal moir\'e patterns, to demonstrate the versatility of this approach. We hope this geometric framework will provide insights for solving more complex moir\'e patterns and facilitate the application of moir\'e patterns in X-ray diffractions, wave manipulations, molecular dynamics, and other fields., Comment: 14 pages, 5 figures

The discovery of advanced materials is the cornerstone of human technological development and progress. The structures of materials and their corresponding properties are essentially the result of a complex interplay of multiple degrees of freedom such as lattice, charge, spin, symmetry, and topology. This poses significant challenges for the inverse design methods of materials. Humans have long explored new materials through a large number of experiments and proposed corresponding theoretical systems to predict new material properties and structures. With the improvement of computational power, researchers have gradually developed various electronic structure calculation methods, particularly such as the one based density functional theory, as well as high-throughput computational methods. Recently, the rapid development of artificial intelligence technology in the field of computer science has enabled the effective characterization of the implicit association between material properties and structures, thus opening up an efficient paradigm for the inverse design of functional materials. A significant progress has been made in inverse design of materials based on generative and discriminative models, attracting widespread attention from researchers. Considering this rapid technological progress, in this survey, we look back on the latest advancements in AI-driven inverse design of materials by introducing the background, key findings, and mainstream technological development routes. In addition, we summarize the remaining issues for future directions. This survey provides the latest overview of AI-driven inverse design of materials, which can serve as a useful resource for researchers., Comment: 43 pages, 5 figures, 2 tables

Exfoliation and stacking of two-dimensional (2D) van der Waals (vdW) crystals have created unprecedented opportunities in the discovery of quantum phases. A major obstacle to the advancement of this field is the limited spectroscopic access due to a mismatch in sample sizes (1 - 10 micrometer) and wavelengths (0.1 - 1 millimeter) of electromagnetic radiation relevant to their low-energy excitations. Here, we introduce a new member of the 2D vdW material family: a terahertz (THz) emitter. We show intense and broadband THz generation from the vdW ferroelectric semiconductor NbOI2 with optical rectification efficiency over one-order-of-magnitude higher than that of the current standard THz emitter, ZnTe. The NbOI2 THz emitter can be easily integrated into vdW heterostructures for on-chip near-field THz spectroscopy of a target vdW material/device. Our approach provides a general spectroscopic tool for the rapidly expanding field of 2D vdW materials and quantum matter., Comment: 18 pages, 3 figures, 15 pages of Supplementary Information

We use density functional theory calculations to characterize the early stages of fluorination of silver's (100) and (110) surfaces. In the Ag(100) surface, the hollow site is the most favorable for F adatoms. In the Ag(110) surface, three adsorption sites, namely hollow, long bridge, and short bridge, exhibit similar energies. These locations are also more favorable than an F adatom occupying a vacancy site irrespectively of whether the vacancy was present or not in the pristine surface. The computed energy as a function of surface coverage is used to compute the equilibrium thermodynamics phase diagram. We argue that for the typical pressure and temperature of fluorination experiments, the state of the surface is not determined by thermodynamics but by kinetics. Combining these results with scanning tunneling microscopy (STM) topographic simulations, we propose assignments to features observed experimentally. We present a minimal model of the apparent topography of adatoms in different locations in terms of hydrogenic orbitals, explaining the observed trends. The model links the STM apparent topography to structural information and the oxidation states of the Ag atoms near the adatom., Comment: 18 pages, 12 Figures

We investigate the emergence of self-hybridized thermal magnetoplasmons in doped graphene nanodisks at finite temperatures when subjected to an external magnetic field. Using a semi-analytical approach, which fully describes the eigenmodes and polarizability of the graphene nanodisks, we show that the hybridization originates from the coupling of transitions between thermally populated Landau levels and localized magnetoplasmon resonances of the nanodisks. Owing to their origin, these modes combine the extraordinary magneto-optical response of graphene with the strong field enhancement of plasmons, making them an ideal tool for achieving strong chiral light-matter interactions, with the additional advantage of being tunable through carrier concentration, magnetic field, and temperature. As an illustration of their capabilities, we demonstrate that the thermal magnetoplasmons supported by an array of graphene nanodisks enable chiral perfect absorption and chiral thermal emission., Comment: 18 pages, 8 figures

Hexagonal boron nitride (hBN) has been experimentally shown to exhibit room-temperature single-photon emission. This emission is attributed to defect states in the wide band-gap of hBN, which allow new optical transitions between these dispersion-less defect levels. In this work, we study the new spectral features introduced by interacting atomic defects in consecutive layers of bilayer hBN. Density Functional theory simulations have been carried out to calculate the energy band structure, frequency-dependent complex dielectric functions, and Kohn-Sham states to demonstrate and understand the cause of the emission enhancements. We found that placing colour centres in the vicinity of each other in bilayer hBN introduces new polarization dependent spectral features, with strong dependence on the distance and relative orientation between atomic defects. Our results provide a pathway to engineering single photon emission in hBN via inter-defect interaction.

While recent theoretical studies have positioned noncollinear polar magnets with $C_{nv}$ symmetry as compelling candidates for realizing topological magnetic phases and substantial intrinsic anomalous Hall conductivity, experimental realizations of the same in strongly correlated systems remain rare. Here, we present a large intrinsic anomalous Hall effect and extended topological magnetic ordering in Gd$_3$Ni$_8$Sn$_4$ with hexagonal $C_{6v}$ symmetry. Observation of topological Hall response, corroborated by metamagnetic anomalies in isothermal magnetization, peak/hump features in field-evolution of ac susceptibility and longitudinal resistivity, attests to the stabilization of skyrmion $A$-phase. The anomalous Hall effect is quantitatively accounted for by the intrinsic Berry curvature-mediated mechanism. Our results underscore polar magnets as a promising platform to investigate a plethora of emergent electrodynamic responses rooted in the interplay between magnetism and topology.

Kagome materials with inherent geometric frustration can produce many interesting physical properties, such as flat bands, quantum spin liquid, chiral magnetism, superconductivity and density-wave orders. Sometimes, the localized 4$f$ electrons from Ce atoms coupled with other conduction electrons would also give rise to the flat bands near the Fermi level, and results in the formation of heavy fermion. Thus, it is highly probable that kagome material incorporating Ce element will display nontrivial physical properties. In this study, we present a new Kagome material belonging to the trinary Laves phase, Ce$_{2}$Ru$_{3}$Si, in which kagome plane is formed by Ru atoms. Electrical transport and specific heat measurements reveal a density-wave like transition. A Curie-Weiss behavior is observed in low-temperature region. Meanwhile we also find a relatively large specific coefficient $\gamma_{n}(0)$. The calculated Wilson ratio $R_\mathrm{W}\propto{\chi(0)/\gamma_{n}}$ is approximately 3.1, indicating a moderate electron correlation effect. Chemical doping of Ir at the Ru site rapidly suppresses this density-wave like transition, while Mo doping leads to a gradual decrease in transition temperature. Theoretical calculation indicates both the Ce-4$f$ and Ru-4$d$ electronic bands cross the Fermi level, forming a Mexican-hat-shape Fermi surface close to the Fermi energy, potentially accounting for the observed density-wave like transition. Our findings provide an useful platform for investigating how hybridization between 4$f$ and 4$d$ electrons influences the electronic transport, and the relationship between the density-wave transition and kagome structure., Comment: 15pages, 4 figures,2 supplementary figures

The development of high-performance materials for microelectronics, energy storage, and extreme environments depends on our ability to describe and direct property-defining microstructural order. Our present understanding is typically derived from laborious manual analysis of imaging and spectroscopy data, which is difficult to scale, challenging to reproduce, and lacks the ability to reveal latent associations needed for mechanistic models. Here, we demonstrate a multi-modal machine learning (ML) approach to describe order from electron microscopy analysis of the complex oxide La$_{1-x}$Sr$_x$FeO$_3$. We construct a hybrid pipeline based on fully and semi-supervised classification, allowing us to evaluate both the characteristics of each data modality and the value each modality adds to the ensemble. We observe distinct differences in the performance of uni- and multi-modal models, from which we draw general lessons in describing crystal order using computer vision., Comment: 30 pages, 5 figures, 2 tables

Integrating autonomous contact-based robotic characterization into self-driving laboratories can enhance measurement quality, reliability, and throughput. While deep learning models support robust autonomy, current methods lack pixel-precision positioning and require extensive labeled data. To overcome these challenges, we propose a self-supervised convolutional neural network with a spatially differentiable loss function, incorporating shape priors to refine predictions of optimal robot contact poses for semiconductor characterization. This network improves valid pose generation by 20.0%, relative to existing models. We demonstrate our network's performance by driving a 4-degree-of-freedom robot to characterize photoconductivity at 3,025 predicted poses across a gradient of perovskite compositions, achieving throughputs over 125 measurements per hour. Spatially mapping photoconductivity onto each drop-casted film reveals regions of inhomogeneity. With this self-supervised deep learning-driven robotic system, we enable high-precision and reliable automation of contact-based characterization techniques at high throughputs, thereby allowing the measurement of previously inaccessible yet important semiconductor properties for self-driving laboratories.

Bethe-Salpeter equation (BSE) in the self-consistent Hartree-Fock (HF) basis is often used for describing complex many-body effects in material science applications. Its exact solution on the real-frequency axis at finite temperature for polarization using the diagrammatic Monte Carlo method [Phys. Rev. B \textbf{109}, 045152, (2024)] captures effects of multiple Coulomb scattering of a single particle-hole excitation, but does not account for multiple pair excitations important for studying dielectric loses in metals at frequencies comparable to the plasmon mode. In this paper we report technical developments which allow one to efficiently compute the dielectric response in a wide frequency range from zero to a few Fermi energies without systematic bias at finite $T$. By applying it to the homogeneous electron gas we demonstrate how at small momenta the gap in the spectral density between the electron-hole and plasmon excitations, existing within the HF-BSE approach, is filled with two particle-hole excitations and is completely washed out already at temperature $T \sim \varepsilon_F/10$., Comment: 5 pages, 4 figures

This study presents an \textit{ab initio} investigation of the XANES spectra at the aluminum K edge for three compounds: Al$_2$O$_3$, AlF$_3$ and AlCl$_3$, where the Al atoms share the same oxidation state~(III) and are coordinated in an octahedral symmetry. The XANES spectra calculated within the independent-particle approximation reveal significant differences, including shifts in the spectrum onset, variations in the spectral shapes, and the presence of a pre-peak in the case of AlCl$_3$, all in correspondence with the behavior of the PDOS of the absorbing atom in the different materials. The origin of the features stems from the specific band structure of each compound. When electron--hole interactions are taken into account through the solution of the Bethe-Salpeter equation, a series of dark and bright excitons with large binding energies and Frenkel character is obtained. The strong excitonic effects lead to the suppression of the pre-peak in AlCl$_3$ and further accentuate the differences among the three Al K-edge spectra.

The power conversion efficiency (PCE) of organic solar cells (OSCs) has been largely improved by the introduction of novel non-fullerene acceptors (NFAs). Further improvements in PCE require a more comprehensive understanding of the free charge generation process. Recently, the small PCE of donor-acceptor blends with low offsets between the relevant frontier orbitals was attributed to inefficient exciton dissociation. However, another source of photocurrent loss is the competition between exciton diffusion and decay, which is particularly relevant for bilayers or bulk heterojunction blends with phase separated morphology. Here, we present an analytical model that combines exciton diffusion with a set of rate equations based on Marcus theory of charge transfer. An expression for the charge generation efficiency is derived from the steady-state solution of the model. Thereby, the intrinsic exciton lifetime is identified as a pivotal parameter to facilitate efficient charge generation in spite of a vanishing driving force for exciton dissociation. The dynamic formulation of the model is used to elucidate the characteristic time scales of charge generation. It is found that for low-offset systems, the pure diffusive times are considerably shorter than those associated with charge generation. It can therefore be concluded that when estimating domain sizes via exciton diffusion measurements, the assumption that excitons are instantaneously quenched at the donor-acceptor interface is only valid when a high driving force for exciton dissociation is present. The model is applied to the transient absorption dynamics of a PM6:Y6 blend. It is demonstrated that the charge generation dynamics are determined by the interplay between exciton diffusion and hole transfer kinetics, with an estimated Y6 domain size of 25nm, while interfacial charge transfer (CT) states separate rapidly into free charges.

Quantum transport calculations are essential for understanding and designing nanoelectronic devices, yet the trade-off between accuracy and computational efficiency has long limited their practical applications. We present a general framework that combines the deep learning tight-binding Hamiltonian (DeePTB) approach with the non-equilibrium Green's Function (NEGF) method, enabling efficient quantum transport calculations while maintaining first-principles accuracy. We demonstrate the capabilities of the DeePTB-NEGF framework through two representative applications: comprehensive simulation of break junction systems, where conductance histograms show good agreement with experimental measurements in both metallic contact and single-molecule junction cases; and simulation of carbon nanotube field effect transistors through self-consistent NEGF-Poisson calculations, capturing essential physics including the electrostatic potential and transfer characteristic curves under finite bias conditions. This framework bridges the gap between first-principles accuracy and computational efficiency, providing a powerful tool for high-throughput quantum transport simulations across different scales in nanoelectronics., Comment: 10 pages, 4 figures

Since the discovery of ferroelectricity in HfO$_2$ thin films, significant research has focused on Zr-doped HfO$_2$ and solid solution (Hf,Zr)O$_2$ thin films. Functional properties can be further tuned via multilayering, however, this approach has not yet been fully explored in HfO$_2$-ZrO$_2$ films. This work demonstrates ferroelectricity in a 50 nm thick, solution-processed HfO$_2$-ZrO$_2$ multilayer film, marking it as the thickest such film to date exhibiting ferroelectric properties. The multilayer structure was confirmed through transmission electron microscopy (TEM) and energy dispersive x-ray spectroscopy, with high-resolution TEM revealing grain continuity across multiple layers. This finding indicates that a polar phase in the originally paraelectric ZrO$_2$ layer, can be stabilized by the HfO$_2$ layer. The film attains a remanent polarization of 8 uC/cm$^2$ and exhibits accelerated wake-up behavior, attributed to its higher breakdown strength resulting from the incorporation of multiple interfaces. These results offer a faster wake-up mechanism for thick ferroelectric hafnia films.

The recent discovery of superconductivity in pressurized Ruddlesden-Popper (RP) of nickelates has potential similarities with cuprate superconductors, which may provide unique perspectives on the mechanisms of high-temperature superconductivity. Up to now, most of high-pressure experiments concentrated on the lanthanum-related RP phase. Therefore, the discovery of new superconducting nickelate compounds is highly desired to explore the generality of pressure-induced superconductivity in RP nickelates. Here, we grow high-quality Pr4Ni3O10 single crystal with an optical floating zone furnace under high oxygen pressure and conduct high-pressure transport measurements with various pressure transmitting mediums. The density wave in Pr4Ni3O10 single crystal was suppressed by pressure, accompanying the arising of superconducting state beyond 10 GPa. The maximum and unsaturated Tc of 39 K is obtained within our research pressure. Although zero resistivity was not achieved in our experiments, the pressure and temperature-dependent diamagnetism along with the systematic evolution of resistivity with applied magnetic field, corroborate the superconductivity in Pr4Ni3O10 single crystals. Our findings provide a new platform for the investigation of the relationship among structural evolution, magnetism, correlation, and superconductivity in Ruddlesden-Popper nickelates., Comment: 15 pages,5 figures

Materials science datasets are inherently heterogeneous and are available in different modalities such as characterization spectra, atomic structures, microscopic images, and text-based synthesis conditions. The advancements in multi-modal learning, particularly in vision and language models, have opened new avenues for integrating data in different forms. In this work, we evaluate common techniques in multi-modal learning (alignment and fusion) in unifying some of the most important modalities in materials science: atomic structure, X-ray diffraction patterns (XRD), and composition. We show that structure graph modality can be enhanced by aligning with XRD patterns. Additionally, we show that aligning and fusing more experimentally accessible data formats, such as XRD patterns and compositions, can create more robust joint embeddings than individual modalities across various tasks. This lays the groundwork for future studies aiming to exploit the full potential of multi-modal data in materials science, facilitating more informed decision-making in materials design and discovery.

The exact quantum dynamics of lattice models can be computationally intensive, especially when aiming for large system sizes and extended simulation times necessary to converge transport coefficients. By leveraging finite memory times to access long-time dynamics using only short-time data, generalized master equations (GMEs) can offer a route to simulating the dynamics of lattice problems efficiently. However, such simulations are limited to small lattices whose dynamics exhibit finite-size artifacts that contaminate transport coefficient predictions. To address this problem, we introduce a novel approach that exploits finite memory in time \textit{and} space to efficiently predict the many-body dynamics of dissipative lattice problems involving short-range interactions. This advance enables one to leverage the short-time dynamics of small lattices to simulate arbitrarily large systems over long times. We demonstrate the strengths of this method by focusing on nonequilibrium polaron relaxation and transport in the dispersive Holstein model, successfully simulating lattice dynamics in one and two dimensions free from finite-size effects, reducing the computational expense of such simulations by multiple orders of magnitude. Our method is broadly applicable and provides an accurate and efficient means to investigate nonequilibrium relaxation with microscopic resolution over mesoscopic length and time scales that are relevant to experiment.

Electron-magnon coupling reveals key insights into the interfacial properties between non-magnetic metals and magnetic insulators, influencing charge transport and spin dynamics. Here, we present temperature-dependent Raman spectroscopy and magneto-transport measurements of few-layer graphene (FLG)/antiferromagnetic FePS\(_3\) heterostructures. The magnon mode in FePS\(_3\) softens below 40 K, and effective magnon stiffness decreases with cooling. Magnetotransport measurements show that FLG exhibits negative magnetoresistance (MR) in the heterostructure at low fields (\(\pm 0.2 \, \text{T}\)), persisting up to 100 K; beyond this, MR transitions to positive. Notably, as layer thickness decreases, the coupling strength at the interface reduces, leading to a suppression of negative MR. Additionally, magnetodielectric measurements in the FLG/FePS\(_3\)/FLG heterostructure show an upturn at temperatures significantly below ($T_\text{N}$), suggesting a role for the magnon mode in capacitance, as indicated by hybridization between magnon and phonon bands in pristine FePS\(_3\) \textit{via} magnetoelastic coupling.

Quasi-two-dimensional averievites with triangle-kagome-triangle trilayers are of interest due to their rich structural and magnetic transitions and strong spin frustration that are expected to host quantum spin liquid ground state with suitable substitution or doping. Herein, we report growth of bulk single crystals of averievite CsClCu5V2O10 with dimensions of several millimeters on edge in order to (1) address the open question whether the room temperature crystal structure is P-3m1, P-3, P21/c or else, (2) to elucidate the nature of phase transitions, and (3) to study direction-dependent physical properties. Single-crystal-to-single-crystal structural transitions at ~305 K and ~127 K were observed in the averievite CsClCu5V2O10 single crystals. The nature of the transition at ~305 K, which was reported as P-3m1-P21/c transition, was found to be a structural transition from high temperature P-3m1 to low temperature P-3 by combining variable temperature synchrotron X-ray single crystal and high-resolution powder diffraction. In-plane and out-of-plane magnetic susceptibility and heat capacity measurements confirm a first-order transition at 305 K, a structural transition at 127 K and an antiferromagnetic transition at 24 K. These averievites are thus ideal model systems for a deeper understanding of structural transitions and magnetism., Comment: 7 figures

We investigate the effect of top Al2O3 interlayer thickness on the memory window (MW) of Si channel ferroelectric field-effect transistors (Si-FeFETs) with TiN/Al$_2$O$_3$/Hf$_{0.5}$Zr$_{0.5}$O$_2$/SiO$_x$/Si (MIFIS) gate structure. We find that the MW first increases and then remains almost constant with the increasing thickness of the top Al2O3. The phenomenon is attributed to the lower electric field of the ferroelectric Hf$_{0.5}$Zr$_{0.5}$O$_2$ in the MIFIS structure with a thicker top Al2O3 after a program operation. The lower electric field makes the charges trapped at the top Al2O3/Hf0.5Zr0.5O$_2$ interface, which are injected from the metal gate, cannot be retained. Furthermore, we study the effect of the top Al$_2$O$_3$ interlayer thickness on the reliability (endurance characteristics and retention characteristics). We find that the MIFIS structure with a thicker top Al$_2$O$_3$ interlayer has poorer retention and endurance characteristics. Our work is helpful in deeply understanding the effect of top interlayer thickness on the MW and reliability of Si-FeFETs with MIFIS gate stacks., Comment: 7 pages, 12 figures