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This study employs advanced phase-field modeling to investigate Si-based qubit MOSFETs, integrating electrostatics and quantum mechanical effects. We adopt a comprehensive modeling approach, utilizing full-wave treatment of the Schrodinger equation solutions, coupled with the Poisson equation at cryogenic temperatures. Our analysis explores the influence of interface traps on quantum dot (QD) barrier heights, affecting coupling due to tunneling. A wider trap distribution leads to the decoupling of quantum dots. Furthermore, the oscillations in the transmission and reflection coefficients increase as the plunger/barrier gate length increases, reducing the coupling between the QDs. By optimizing plunger and barrier gate dimensions, spacer configurations, and gap oxide lengths, we enhance control over quantum well depths and minimize unwanted wave function leakage. The modeling algorithm is also validated against the experimental data and can accurately capture the oscillations in the Id Vgs caused by the Coulomb blockade at cryogenic temperature, Comment: 10 pages

The objective of this work is to study the effects of charge redistribution, applied layer-normal electric fields, applied strain, and layer engineering on the band alignment of Black Phosphorus (BP)/Molybdenum disulphide (MoS2) heterostructure through Density Functional Theory (DFT) simulations. Black phosphorus works as a p-type material with high mobility, mechanical flexibility, and sensitivity to number of layers. Combining it with the more electronegative material, MoS2 results in strong carrier confinement and a Type II heterostructure. Charge redistribution among the layers shifts the band alignment expected from the Electron Affinity Rule. Applied external fields, strain and multiple BP layers provide band-alignment tunability within the Type II range and/or, transition to Type I and Type III heterostructures. The tunability in BP/MoS2 heterostructure may be useful as tunnel field effect transistors, rectifier diodes with tunable barrier height, reconfigurable FETs, and electro-optical modulators. Furthermore, considering heterostructures of monolayer BP with other monolayer Transitional Metal Dichalcogenides (TMD) suggests the ability to achieve different band alignment types. In our simulations, a Type I alignment is found with Tungsten diselenide (WSe2), Molybdenum diselenide (MoSe2), and Tungsten disulphide (WS2), and a Type III for Hafnium disulphide (HfS2) and Hafnium diselenide (HfSe2).

The spin Hall effect (SHE) is highly promising for spintronic applications, and the design of materials with large SHE can enable ultra-low power memory technology. Recently, 5d-transition metal oxides have been shown to demonstrate a large SHE. Here we report large values of SHE in four 5d-transition metal anti-perovskites which makes these anti-perovskites promising spintronic materials. We demonstrate that these effects originate in the mixing of dx2-y2 and dxy orbitals caused by spin orbit coupling.

Chromium selenide thin films were grown epitaxially on Al${_2}$O${_3}$(0001) and Si(111)-(7${\times}$7) substrates using molecular beam epitaxy (MBE). Sharp streaks in reflection high-energy electron diffraction and triangular structures in scanning tunneling microscopy indicate a flat smooth film growth along the c-axis, and is very similar to that from a hexagonal surface. X-ray diffraction pattern confirms the growth along the c-axis with c-axis lattice constant of 17.39 {\AA}. The grown film is semiconducting, having a small band gap of about 0.034 eV, as calculated from the temperature dependent resistivity. Antiferromagnetic nature of the film with a N\'eel temperature of about 40 K is estimated from the magnetic exchange bias measurements. A larger out-of-plane exchange bias, along with a smaller in-plane exchange bias is observed below 40 K. Exchange bias training effects are analyzed based on different models and are observed to be following a modified power-law decay behavior., Comment: 14 Pages, 6 Figures + Supporting Information

Spin Hall effect (SHE), a mechanism by which materials convert a \textit{charge} current into a \textit{spin} current, invokes interesting physics and promises to empower transformative, energy-efficient memory technology. However, fundamental questions remain about the essential factors that determine SHE. Here we solve this open problem, presenting a comprehensive theory of five \textit{foundational factors} that control the value of intrinsic SHE in transition metal oxides. Arising from our key insight regarding the inherently geometric nature of SHE, we demonstrate that two of these factors are crystal field strength and structural distortions. Moreover, we discover that a new class of materials (anti-perovskites) promises to demonstrate \textit{giant} SHE, that is an order of magnitude larger than that reported for any oxide. We derive three other factors that control SHE and demonstrate the nuanced role of electron correlations. Our findings bring deeper insight into the physics driving SHE, and could help enhance, as well as, externally control SHE values.

The effects of contact geometry and ideality on InGaAs and Si nano-scale n-channel FinFET performance are studied using a quantum-corrected semi-classical Monte Carlo method. Illustrative end, saddle/slot, and raised source/drain contacts were modeled, and with ideal transmissivity and reduced transmissivity more consistent with experimental contact resistivities. Far-from-equilibrium degenerate statistics, quantum-confinement effects on carrier distributions in real-space and among energy valleys, quasi-ballistic transport inaccessible through drift-diffusion and hydrodynamic simulations, and scattering mechanisms and contact geometries not readily accessible through non-equilibrium Green's function simulation are addressed. Silicon $\langle \hbox{110} \rangle$ channel devices, Si $\langle \hbox{100} \rangle$ channel devices, multi-valley (MV) InGaAs devices with conventionally-reported energy valley offsets, and idealized $\Gamma$-valley only $\left( \Gamma \right)$ InGaAs devices are modeled. Simulated silicon devices exhibited relatively limited degradation in performance due to non-ideal contact transmissivities, more limited sensitivity to contact geometry with non-ideal contact transmissivities, and some contact-related advantage for Si $\langle \hbox{110} \rangle$ channel devices. In contrast, simulated InGaAs devices were highly sensitive to contact geometry and ideality and the peripheral valley's energy offset. It is illustrative of this latter sensitivity that simulated $\Gamma$-InGaAs device outperformed all others by a factor of two or more in terms of peak transconductance with perfectly transmitting reference end contacts, while silicon devices outperformed $\Gamma$-InGaAs for all contact geometries with non-ideal transmissivities, and MV-InGaAs devices performed the poorest under all simulation scenarios.

Skyrmions are widely regarded as promising candidates for emergent spintronic devices. Dzyaloshinskii-Moriya interaction (DMI) is often critical to the generation and manipulation of skyrmions. However, there is a fundamental lack of understanding of the origin of DMI or the mechanism by which DMI generates skyrmions in magnetic bilayers. Very little is known of the material parameters that determine the value of DMI. This knowledge is vital for rational design of skyrmion materials and further development of skyrmion technology. To address this important problem, we investigate DMI in magnetic bilayers using first-principles. We present a new theoretical model that explains the microscopic origin of DMI in magnetic bilayers. We demonstrate that DMI depends on two parameters, interfacial hybridization and orbital contributions of the heavy metal. Using these parameters, we explain the trend of DMI observed. We also report four new materials systems with giant DMI and new designs for magnetic multilayers that are expected to outperform the best materials known so far. Our results present a notably new understanding of DMI, uncover highly promising materials and put forth novel pathways for the controlled generation of skyrmions.

The vertical stacking of van der Waals (vdW) materials introduces a new degree of freedom to the research of two-dimensional (2D) systems. The interlayer coupling strongly influences the band structure of the heterostructures, resulting in novel properties that can be utilized for electronic and optoelectronic applications. Based on microwave microscopy studies, we report quantitative electrical imaging on gated molybdenum disulfide (MoS2)/tungsten diselenide (WSe2) heterostructure devices, which exhibit an intriguing anti-ambipolar effect in the transfer characteristics. Interestingly, in the region with significant source-drain current, electrons in the n-type MoS2 and holes in the p-type WSe2 segments are nearly balanced, whereas the heterostructure area is depleted of mobile charges. The configuration is analogous to the p-i-n diode, where the injected carriers dominate in the recombination current. The spatial evolution of local conductance can be ascribed to the lateral band bending and formation of depletion regions along the line of MoS2-heterostructure-WSe2. Our work vividly demonstrates the microscopic origin of novel transport behaviors, which is important for the vibrant field of vdW heterojunction research., Comment: 18 pages, 4 figures, Just accepted by Nano Letters

In van der Waals (vdW) heterostructures formed by stacking two monolayer semiconductors, lattice mismatch or rotational misalignment introduces an in-plane moir\'e superlattice. While it is widely recognized that a moir\'e superlattice can modulate the electronic band structure and lead to novel transport properties including unconventional superconductivity and insulating behavior driven by correlations, its influence on optical properties has not been investigated experimentally. We present spectroscopic evidence that interlayer excitons are confined by the moir\'e potential in a high-quality MoSe2/WSe2 heterobilayer with small rotational twist. A series of interlayer exciton resonances with either positive or negative circularly polarized emission is observed in photoluminescence, consistent with multiple exciton states confined within the moir\'e potential. The recombination dynamics and temperature dependence of these interlayer exciton resonances are consistent with this interpretation. These results demonstrate the feasibility of engineering artificial excitonic crystals using vdW heterostructures for nanophotonics and quantum information applications.

We study the magnetotransport of high-mobility electrons in monolayer and bilayer MoSe$_2$, which show Shubnikov-de Haas (SdH) oscillations and quantum Hall states in high magnetic fields. An electron effective mass of 0.8$m_e$ is extracted from the SdH oscillations' temperature dependence; $m_e$ is the bare electron mass. At a fixed electron density the longitudinal resistance shows minima at filling factors (FFs) that are either predominantly odd, or predominantly even, with a parity that changes as the density is tuned. The SdH oscillations are insensitive to an in-plane magnetic field, consistent with an out-of-plane spin orientation of electrons at the $K$-point. We attribute the FFs parity transitions to an interaction enhancement of the Zeeman energy as the density is reduced, resulting in an increased Zeeman-to-cyclotron energy ratio., Comment: 5 pages, 5 figures; includes supplemental material

We present a combined experimental and theoretical study of valley populations in the valence bands of trilayer WSe$_2$. Shubnikov$-$de Haas oscillations show that trilayer holes populate two distinct subbands associated with the $K$ and $\Gamma$ valleys, with effective masses 0.5$m_e$ and $1.2m_e$, respectively; $m_e$ is the bare electron mass. At a fixed total hole density, an applied transverse electric field transfers holes from $\Gamma$ orbitals to $K$ orbitals. We are able to explain this behavior in terms of the larger layer polarizability of the $K$ orbital subband., Comment: 5 pages, 4 figures, includes supplementary material

As the focus of applied research in topological insulators (TI) evolves, the need to synthesize large-area TI films for practical device applications takes center stage. However, constructing scalable and adaptable processes for high-quality TI compounds remains a challenge. To this end, a versatile van der Waals epitaxy (vdWE) process for custom-feature Bismuth Telluro-Sulfide TI growth and fabrication is presented, achieved through selective-area fluorination and modification of surface free-energy on mica. The TI features grow epitaxially in large single-crystal trigonal domains, exhibiting armchair or zigzag crystalline edges highly oriented with the underlying mica lattice and only two preferred domain orientations mirrored at $180^\circ$. As-grown feature thickness dependence on lateral dimensions and denuded zones at boundaries are observed, as explained by a semi-empirical two-species surface migration model with robust estimates of growth parameters and elucidating the role of selective-area surface modification. Topological surface states contribute up to 60% of device conductance at room-temperature, indicating excellent electronic quality. High-yield microfabrication and the adaptable vdWE growth mechanism with readily alterable precursor and substrate combinations, lend the process versatility to realize crystalline TI synthesis in arbitrary shapes and arrays suitable for facile integration with processes ranging from rapid prototyping to scalable manufacturing., Comment: 26 pages including Supporting Information: 15 figures, 1 table

The phosphorous activation in Ge n$^{+}$/p junctions is compared in terms of junction depth, by using laser spike annealing at 860{\deg}C for 400$\mu$s. The reverse junction leakage is found to strongly depend on the abruptness of dopant profiles. A shallow and abrupt junction is shown to have lower phosphorous activation level, due to surface dose loss, and higher band-to-band tunneling (BTBT) leakage, when compared to the deep junction. Simulations were carried out to evaluate the lowest achievable OFF-state currents (I$_{OFF}$) for Ge double-gate FETs when using such an abrupt junction. Our results indicate that a Ge body thickness smaller than 5 nm is required to suppress the BTBT leakage and meet the requirement for the high performance devices defined by the International Technology Roadmap for Semiconductors (I$_{OFF}$ = 10$^{-7}$ A/$\mu$m)., Comment: 4 pages, 4 figures

We investigate magnetic anisotropy and magnetization reversal mechanism in chromium telluride thin films grown by molecular beam epitaxy. We report existence of strong perpendicular anisotropy in these thin films, along with a relatively strong second order anisotropy contribution. The angular variation of the switching field observed from the magnetoresistance measurement is explained quantitatively using a one-dimensional defect model. The model reveals the relative roles of nucleation and pinning in the magnetization reversal, depending on the applied field orientation. Micromagnetic simulations are performed to visualize the domain structure and switching process., Comment: 14 pages, 6 figures

We present an ultra-high vacuum scanning tunneling microscopy (STM) study of structural defects in molybdenum disulfide thin films grown on silicon substrates by chemical vapor deposition. A distinctive type of grain boundary periodically arranged inside an isolated triangular domain, along with other inter-domain grain boundaries of various types, is observed. These periodic defects, about 50 nm apart and a few nanometers in width, remain hidden in optical or low-resolution microscopy studies. We report a complex growth mechanism that produces 2D nucleation and spiral growth features that can explain the topography in our films., Comment: To appear in Appl. Phys. Lett. 13 pages, 3 figures. Includes Supplementary Material

We electrically detect charge current induced spin polarization on the surface of molecular beam epitaxy grown Bi$_2$Te$_3$ thin film in a two-terminal device with a ferromagnetic MgO/Fe and a nonmagnetic Ti/Au contact. The two-point resistance, measured in an applied magnetic field, shows a hysteresis tracking the magnetization of the Fe. A theoretical estimate is obtained for the change in resistance on reversing the magnetization direction of Fe from coupled spin-charge transport equations based on quantum kinetic theory. The order of magnitude and the sign of the hysteresis is consistent with spin-polarized surface state of Bi$_2$Te$_3$., Comment: 11 pages (including references), 4 figures (including supplementary information), accepted in journal

A new paradigm is required to facilitate the demand for the huge data storage capacity and faster data processing in the future. Nano structures such as magnetic skyrmions have been predicted to address this issues as these vortex structures are the smallest particle-like magnetic features and are topologically protected from crystallographic defects or magnetic disorder. We report here stable skyrmions at room temperature and with zero applied field in ebeam evaporated Ir Fe Ir MgO thin film stacks. Micromagnetic simulations show that these skyrmions are induced by interfacial Dzyaloshinskii Moriya interactions between the ferromagnetic and heavy metal ultra thin layers values in the range between 3.1 to 3.6. We also show the field dependencies of the skyrmion width and density. The room temperature zero field width is 110 nm, approximately comparable to the value showed by Fert et al and Boulle et al for the multi stacks thin film. DFT calculations corroborate our experimental results by predicting a DMI value of 3.67., Comment: Our DFT calculations need a revision. Also, we need to redo our MFM and VSM measurements. We need to redo our micromagnetic simulation too

We report a study of the quantum Hall states (QHSs) sequence of holes in mono- and bilayer WSe$_2$. The QHSs sequence transitions between predominantly even and predominantly odd filling factors as the hole density is tuned in the range $1.6 - 12\times10^{12}$ cm$^{-2}$. The QHSs sequence is insensitive to the transverse electric field, and tilted magnetic field measurements reveal an insensitivity of the QHSs sequence to the in-plane magnetic field, evincing that the hole spin is locked perpendicular to the WSe$_2$ plane. These observations imply that the QHSs sequence is controlled by the Zeeman-to-cyclotron energy ratio, which remains constant as a function of perpendicular magnetic field at a fixed carrier density, but changes as a function of density due to strong electron-electron interaction., Comment: 5 pages, 4 figures

Van der Waal's heterostrucutures allow for novel devices such as two-dimensional-to-two-dimensional tunnel devices, exemplified by interlayer tunnel FETs. These devices employ channel/tunnel-barrier/channel geometries. However, during layer-by-layer exfoliation of these multi-layer materials, rotational misalignment is the norm and may substantially affect device characteristics. In this work, by using density functional theory methods, we consider a reduction in tunneling due to weakened coupling across the rotationally misaligned interface between the channel layers and the tunnel barrier. As a prototypical system, we simulate the effects of rotational misalignment of the tunnel barrier layer between aligned channel layers in a graphene/hBN/graphene system. We find that rotational misalignment between the channel layers and the tunnel barrier in this van der Waal's heterostructure can significantly reduce coupling between the channels by reducing, specifically, coupling across the interface between the channels and the tunnel barrier. This weakened coupling in graphene/hBN/graphene with hBN misalignment may be relevant to all such van der Waal's heterostructures., Comment: 12 pages, 7 figures

In this work we present silicon process compatible, stable and reliable ($>10^{8}$cycles), high non-linearity ratio at half-read voltage ($>5\times 10^{5}$), high speed ($<60ns$) low operating voltage ($<2V$) back-to-back Schottky diodes. Materials choice of electrode, thickness of semiconductor layer and doping level are investigated by numerical simulation, experiments and current-voltage equations to give a general design consideration when back-to-back Schottky diodes are used as selector device for Resistive Random Access Memory(RRAM) arrays.

To reduce Schottky-barrier-induced contact and access resistance, and the impact of charged impurity and phonon scattering on mobility in devices based on 2D transition metal dichalcogenides (TMDs), considerable effort has been put into exploring various doping techniques and dielectric engineering using $high-\kappa$ oxides, respectively. The goal of this work is to demonstrate a $high-\kappa$ dielectric that serves as an effective n-type charge transfer dopant on monolayer (ML) molybdenum disulfide ($MoS_{2}$). Utilizing amorphous titanium suboxide (ATO) as the '$high-\kappa$ dopant', we achieved a contact resistance of ~ $180$ ${\Omega}.{\mu}m$ which is the lowest reported value for ML $MoS_{2}$. An ON current as high as $240$ ${\mu}A/{\mu}m$ and field effect mobility as high as $83$ $cm^2/V-s$ were realized using this doping technique. Moreover, intrinsic mobility as high as $102$ $cm^2/V-s$ at $300$ $K$ and $501$ $cm^2/V-s$ at $77$ $K$ were achieved after ATO encapsulation which are among the highest mobility values reported on ML $MoS_{2}$. We also analyzed the doping effect of ATO films on ML $MoS_{2}$, a phenomenon which is absent when stoichiometric $TiO_{2}$ is used, using ab initio density functional theory (DFT) calculations which shows excellent agreement with our experimental findings. Based on the interfacial-oxygen-vacancy mediated doping as seen in the case of $high-\kappa$ ATO - ML $MoS_{2}$, we propose a mechanism for the mobility enhancement effect observed in TMD-based devices after encapsulation in a $high-\kappa$ dielectric environment., Comment: 31 pages, 6 figures, 5 supporting figures, Nano Letters 2015

Particle-based ensemble semi-classical Monte Carlo (MC) methods employ quantum corrections (QCs) to address quantum confinement and degenerate carrier populations to model tomorrow's ultra-scaled MOSFETs. Here we present new approaches to quantum confinement and carrier degeneracy effects in a three-dimensional (3D) MC device simulator, and illustrate their significance through simulation of n-channel Si and III-V FinFETs. Original contributions include our treatment of far-from-equilibrium degenerate statistics and QC-based modeling of surface-roughness scattering, as well as considering quantum-confined phonon and impurity scattering in 3D. Typical MC simulations approximate degenerate carrier populations as Fermi distributions to model the Pauli-blocking (PB) of scattering to occupied final states. To allow for increasingly far-from-equilibrium non-Fermi carrier distributions in ultra-scaled devices, we instead generate the final-state occupation probabilities used for PB by sampling the local carrier populations as a function of energy and energy valley. This process is aided by the use of fractional carriers or sub-carriers, which minimizes classical carrier-carrier scattering. Quantum confinement effects are addressed through quantum-correction potentials (QCPs) generated from Schr\"{o}dinger-Poisson solvers, as commonly done. However, we use our valley- and orientation-dependent QCPs not just to redistribute carriers in real space, or even among energy valleys, but also to calculate confinement-dependent phonon, impurity, and surface-roughness scattering rates. FinFET simulations are used to illustrate how, collectively, these quantum effects can substantially reduce and even eliminate otherwise expected benefits of In$_{\text{0.53}}$Ga$_{\text{0.47}}$As FinFETs over otherwise identical Si FinFETs, despite higher thermal velocities in In$_{\text{0.53}}$Ga$_{\text{0.47}}$As.

Spin-transfer-torque random access memory (STT-RAM) is a promising candidate for the next-generation of random-access-memory due to improved scalability, read-write speeds and endurance. However, the write pulse duration must be long enough to ensure a low write error rate (WER), the probability that a bit will remain unswitched after the write pulse is turned off, in the presence of stochastic thermal effects. WERs on the scale of 10$^{-9}$ or lower are desired. Within a macrospin approximation, WERs can be calculated analytically using the Fokker-Planck method to this point and beyond. However, dynamic micromagnetic effects within the bit can affect and lead to faster switching. Such micromagnetic effects can be addressed via numerical solution of the stochastic Landau-Lifshitz-Gilbert-Slonczewski (LLGS) equation. However, determining WERs approaching 10$^{-9}$ would require well over 10$^{9}$ such independent simulations, which is infeasible. In this work, we explore calculation of WER using "rare event enhancement" (REE), an approach that has been used for Monte Carlo simulation of other systems where rare events nevertheless remain important. Using a prototype REE approach tailored to the STT-RAM switching physics, we demonstrate reliable calculation of a WER to 10$^{-9}$ with sets of only approximately 10$^{3}$ ongoing stochastic LLGS simulations, and the apparent ability to go further., Comment: 7 pages, 5 figures

We report magnetoresistance for current flow through iron/topological insulator (Fe/TI) and Fe/evaporated-oxide/TI contacts when a magnetic field is used to initially orient the magnetic alignment of the incorporated ferromagnetic Fe bar, at temperatures ranging from 100 K to room temperature. This magnetoresistance is associated with the relative orientation of the Fe bar magnetization and spin-polarization of electrons moving on the surface of the TI with helical spin-momentum locking. The magnitude of the observed magnetoresistance is relatively large compared to that observed in prior work., Comment: 4 pages, 4 figures, submitted in IEEE Transaction