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We compare the two-dimensional (2D) plasmon dispersion relations for monolayer graphene when the sample is doped with carriers in the conduction band and the temperature $T$ is zero with the case when the temperature is finite and there is no doping. Additionally, we have obtained the plasmon excitations when there is doping at finite temperature. The results were obtained in the random-phase approximation which employs energy electronic bands calculated using ab initio density functional theory. We found that in the undoped case the finite temperature results in appearance in the low-energy region of a 2D plasmon which is absent for the $T=0$ case. Its energy is gradually increased with increasing $T$. It is accompanied by expansion in the momentum range where this mode is observed as well. The 2D plasmon dispersion in the $\Gamma$M direction may differ in substantial ways from that along the $\Gamma$K direction at sufficiently high temperature and doping concentrations. Moreover, at temperatures exceeding $\approx300$ meV a second mode emerges along the $\Gamma$K direction at lower energies like it occurs at a doping level exceeding $\approx 300$ meV. Once the temperature exceeds $\approx 0.75$ eV this mode ceases to exit whereas the 2D plasmon exists as a well-defined collective excitation up to $T=1.5$ eV, a maximal temperature investigated in this work., Comment: 11 pages, 8 figures

We investigate Klein tunneling for the $\ensuremath{\alpha}\text{\ensuremath{-}}{T}_{3}$ model, which interpolates between graphene and the dice lattice via parameter $\ensuremath{\alpha}$. We study transmission across two types of electrostatic interfaces: sharp potential steps and sharp potential barriers. We find both interfaces to be perfectly transparent for normal incidence for the full range of the parameter $\ensuremath{\alpha}$ for both interfaces. For other angles of incidence, we find that transmission is enhanced with increasing $\ensuremath{\alpha}$. For the dice lattice, we find perfect, all-angle transmission across a potential step for incoming electrons with energy equal to half of the height of the potential step. This is analogous to the ``super'', all-angle transmission reported for the dice lattice for Klein tunneling across a potential barrier.

We perform oscillatory shear simulations to determine the loss modulus for three solids with identical interaction yet distinct structures: ordered, random, and glassy alloys. Random and glassy alloys show more pronounced high-frequency loss in the THz regime than the ordered alloy. Ordered and random alloys exhibit a power-law decay in damping strength as frequency decreases over nearly five decades. Glassy alloy, with a limited frequency range of power-law decay, retains significant damping at low frequencies extending down to $\ensuremath{\sim}100\phantom{\rule{0.16em}{0ex}}\mathrm{MHz}$ due to slow irreversible deformation of local clusters.

We propose a novel type of tunable Yagi-Uda nanoantenna composed of metal-dielectric (Ag-Ge) core-shell nanoparticles. We show that, due to the combination of two types of resonances in each nanoparticle, such hybrid Yagi-Uda nanoantenna can operate in two different regimes. Besides the conventional nonresonant operation regime at low frequencies, characterized by highly directive emission in the forward direction, there is another one at higher frequencies caused by hybrid magneto-electric response of the core-shell nanoparticles. This regime is based on the excitation of the van Hove singularity, and emission in this regime is accompanied by high values of directivity and Purcell factor within the same narrow frequency range. Our analysis reveals the possibility of flexible dynamical tuning of the hybrid nanoantenna emission pattern via electron-hole plasma excitation by 100 femtosecond pump pulse with relatively low peak intensities $\sim$200 MW/cm$^2$., Comment: 9 pages, 10 figures

We perform ab initio molecular dynamics simulations of liquid Zn near the melting point in order to study the longitudinal and transverse dynamic properties of the system. We find two propagating excitations in both of them in a wide range of wave vectors. This is in agreement with some experimental observations of the dynamic structure factor in the region around half the position of the main peak. Moreover, the two-mode structure in the transverse and longitudinal current correlation functions had also been previously observed in high pressure liquid metallic systems. We perform a theoretical analysis in order to investigate the possible origin of such two components by resorting to mode-coupling theories. They are found to describe qualitatively the appearance of two modes in the dynamics, but their relative intensities are not quantitatively reproduced. We suggest some possible improvements of the theory through the analysis of the structure of the memory functions. We also analyze the single-particle dynamics embedded in the velocity autocorrelation function, and explain its characteristics through mode-coupling concepts.

Magnetic frustration and low dimensionality can prevent long range magnetic order and lead to exotic correlated ground states. SrDy$_2$O$_4$ consists of magnetic Dy$^{3+}$ ions forming magnetically frustrated zig-zag chains along the c-axis and shows no long range order to temperatures as low as $T=60$ mK. We carried out neutron scattering and AC magnetic susceptibility measurements using powder and single crystals of SrDy$_2$O$_4$. Diffuse neutron scattering indicates strong one-dimensional (1D) magnetic correlations along the chain direction that can be qualitatively accounted for by the axial next-nearest neighbour Ising (ANNNI) model with nearest-neighbor and next-nearest-neighbor exchange $J_1=0.3$ meV and $J_2=0.2$ meV, respectively. Three-dimensional (3D) correlations become important below $T^*\approx0.7$ K. At $T=60$ mK, the short range correlations are characterized by a putative propagation vector $\textbf{k}_{1/2}=(0,\frac{1}{2},\frac{1}{2})$. We argue that the absence of long range order arises from the presence of slowly decaying 1D domain walls that are trapped due to 3D correlations. This stabilizes a low-temperature phase without long range magnetic order, but with well-ordered chain segments separated by slowly-moving domain walls.

Existence of non-ergodic ground states is considered as a precursor to a first order long range magnetostructural transformation. Mn$_3$Ga$_{0.45}$Sn$_{0.55}$C lies compositionally between two compounds, Mn$_3$GaC and Mn$_3$SnC, undergoing first order magnetic transformation. Mn$_3$Ga$_{0.45}$Sn$_{0.55}$C though crystallizes in single phase cubic structure, exhibits more than one long range magnetic transitions. Using a combination of magnetization, ac susceptibility, neutron diffraction and XAFS techniques it is shown that, though Mn$_3$Ga$_{0.45}$Sn$_{0.55}$C exhibits long range magnetic order, it presents a cluster glassy ground state due to formation of magnetically ordered Ga rich and Sn rich clusters. The clusters are big enough to present signatures of long range magnetic order but are distributed in such way that it limits interactions between two clusters of the same type leading to a frozen magnetic state at low temperatures. The main reason for such a cluster glass state is the difference in local structure of Mn atoms that find themselves in Ga rich and Sn rich clusters.

The phase diagram of uranium has been explored up to 100 GPa and 2000 K by means of ab initio molecular dynamics (AIMD) simulations. The lattice dynamics and energetics of the stable phases observed experimentally in this range of pressure and temperature are studied in this work. The phonon spectra of the $\ensuremath{\alpha}$ and $\ensuremath{\gamma}$ phases are shown to evolve strongly as a function of temperature, unveiling the huge anharmonic effects present in this material. If the elastics constants and the bulk and shear moduli of the $\ensuremath{\gamma}$ phase do not disclose any temperature effects, the shear modulus of the $\ensuremath{\alpha}$ phase decreases strongly as a function of temperature. Using the pressure- and temperature-dependent vibrational density of states and the Gibbs free energy of these two structures, we found a line transition between the $\ensuremath{\alpha}$ and $\ensuremath{\gamma}$ phases which slightly underestimates the experimental one. Coherently with experiments, the bct structure is never found stable between 0 and 100 GPa.

Despite the success of exploiting the properties of amorphous oxide semiconductors for device applications, the charge transport in these materials is still not clearly understood. The observation of a definite Hall voltage suggests that electron transport in the conduction band is free-electron-like. However, the temperature dependence of the Hall and field-effect mobilities cannot be explained using a simple bandlike model. Here, we perform gated Hall effect measurements in field-effect transistors, which allow us to make two independent estimates of the charge carrier concentration and determine the Hall factor providing information on the energy dependence of the relaxation time. We demonstrate that the Hall factor in a range of sputtered and solution-processed quaternary amorphous oxides, such as a-InGaZnO, is close to two, while in ternary oxides, such as InZnO, it is near unity. This suggests that quaternary elements like Ga act as strong ionized impurity scattering centers in these materials.

We have designed and fabricated a metamaterial consisting of planar metamolecules which exhibit unusual, almost perfect anapole behavior in the sense that the electric dipole radiation is almost canceled by the toroidal dipole one, producing thus an extremely high $Q$-factor at the resonance frequency. Thus we have demonstrated theoretically and experimentally that metamaterials approaching ideal anapole behavior have very high $Q$-factor. The size of the system, at the millimeter range, and the parasitic magnetic quadrupole radiation are the factors limiting the size of the $Q$-factor. In spite of the very low radiation losses the estimated local fields at the metamolecules are extremely high, of the order of ${10}^{4}$ higher than the external incoming field.

We present results for the lifetime of the orbital transitions of Bi donors in Si, measured using both frequency domain and time-domain techniques, allowing us to distinguish between homogeneous and inhomogeneous processes. The proximity of the energy of the optically allowed transitions to the optical phonon energy means that there is an unusually wide variation in the lifetimes and broadening mechanisms for this impurity, from fully homogeneous lifetime-broadened transitions to fully inhomogeneously broadened lines. The relaxation lifetime (T1) of the states range from the low 10’s to 100’s of ps, and we find that there is little extra dephasing (so that T1 is of the order of T2/2) in each case.

The formation of tunable bound states in the continuum (BICs) within photonic crystal (PC) slabs has been investigated by using a semianalytical coupled-wave theory framework. An analytic expression of the radiative wave has been derived in order to depict the condition of BICs. As a result, in addition to well-known symmetry-protected BICs, a novel type of vertical-cancellation BIC can be realized through continuously varying a given parameter to eliminate radiative waves at the boundaries. We investigated one-dimensional and two-dimensional (2D) periodic structures, and found that such tunable BICs can occur for a wide range of wave vectors by the selection of appropriate slab thicknesses. For a 2D PC slab, a ring of high-$Q$ modes is predicted and confirmed by numerical simulation.

We present direct local-probe evidence for strongly hybridized nuclear-electronic spin states of an Ising ferromagnet LiHoF$_4$ in a transverse magnetic field. The nuclear-electronic states are addressed via a magnetic resonance in the GHz frequency range using coplanar resonators and a vector network analyzer. The magnetic resonance spectrum is successfully traced over the entire field-temperature phase diagram, which is remarkably well reproduced by mean-field calculations. Our method can be directly applied to a broad class of materials containing rare-earth ions for probing the substantially mixed nature of the nuclear and electronic moments., Comment: 6 pages, 5 figures

Nanowires made of superconducting Mo-Ge alloys undergo a superconductor-insulator transition when their cross-sectional area is reduced. On the insulating side of the transition, the differential resistance of the nanowires drops with voltage and displays a positive zero-bias anomaly (ZBA). To reveal the origin of this ZBA, we fabricated and studied a series of nanowires made of amorphous alloys with composition $\mathrm{M}{\mathrm{o}}_{50}\mathrm{G}{\mathrm{e}}_{50}$. The length of wires was in the range 150 nm--11 \ensuremath{\mu}m and width was in the range 10--20 nm. We also fabricated and measured several more complex nanowire-based structures: (i) a nanowire gated by a nearby film electrode, (ii) a nanowire connected to film electrodes with an ``adiabatically reduced'' width, (iii) a nanowire with a multielectrode configuration which allowed comparison of different sections of the same nanowire, and (iv) a nanowire with different sizes of film electrodes. We found that for $\mathrm{M}{\mathrm{o}}_{50}\mathrm{G}{\mathrm{e}}_{50}$ nanowires all experimental parameters of the ZBA and their dependence on nanowire length can be explained by electron heating. Several physical processes thought to be responsible for the ZBA have been analyzed and rejected.

This article has an erratum: DOI 10.1103/PhysRevB.95.099901 It is well established that when energetic ions are moving in crystals, they may penetrate much deeper if they happen to be directed in some specific crystal directions. This ‘channeling’ effect is utilized for instance in certain ion beam analysis methods and has been described by analytical theories and atomistic computer simulations. However, there have been very few systematic studies of channeling in directions other than the principal low-index ones. We present here a molecular dynamics-based approach to calculate ion channeling systematically over all crystal directions, providing ion ‘channeling maps’ that easily show in which directions channeling is expected. The results show that channeling effects can be quite significant even at energies below 1 keV, and that in many cases, significant planar channeling occurs also in a wide range of crystal directions between the low-index principal ones. In all of the cases studied, a large fraction (∼20–60%) of all crystal directions show channeling. A practical implication of this is that modern experiments on randomly oriented nanostructures will have a large probability of channeling. It also means that when ion irradiations are carried out on polycrystalline samples, channeling effects on the results cannot a priori be assumed to be negligible. The maps allow for easy selection of good ‘nonchanneling’ directions in experiments or alternatively finding wide channels for beneficial uses of channeling. We implement channeling theory to also give the fraction of channeling directions in amanner directly comparable to the simulations. The comparison shows good qualitative agreement. In particular, channeling theory is very good at predicting which channels are active at a given energy. This is true down to sub-keV energies, provided the penetration depth is not too small.

Extensive ab initio simulations of ice-water basal interface at seven temperatures in the range 250--400 K were performed in NVT and NPT ensembles with a collection of 389 water molecules in order to estimate the melting point of ice from direct liquid-solid two-phase coexistence. Density functional theory with the BLYP (Becke-Lee-Yang-Parr) exchange-correlation functional and the D3 dispersion correction were used in the expression of total energy. Analysis of density profiles and the evolution of the total potential, or Kohn-Sham plus D3, energy in the simulations at different temperatures resulted in an estimate for melting temperature of ice of 325 K.

Electron transport in thin metallic wires and films is strongly influenced by the quality of their surface. Weak localization and magnetoconductivity are also sensitive to the electron scattering at the edges of the sample. We study weak localization effects in a two-dimensional electron gas patterned in the form of a narrow quasi-one-dimensional channel in transverse magnetic field. The most general boundary conditions interpolating between the limits of mirror and diffuse edge scattering are assumed. We calculate magnetoconductivity for an arbitrary width of the sample including the cases of diffusive and ballistic lateral transport as well as the crossover between them. We find that in a broad range of parameters, the electron mobility is limited by the boundary roughness while the magnetotransport is only weakly influenced by the quality of the edges. In addition, we calculate magnetoconductivity for a metallic cylinder in the transverse field and a quasi-two-dimensional metallic film in the parallel field., Comment: 18 pages, 11 figures

Several promising applications of amorphous titanium dioxide, aTiO2, have appeared recently, but thecorrelation between electronic properties and atomic short-range structural order is poorly under ...

We report on the experimental observation of a long-range antiferromagnetic structure in the metamagnetic Ni-Co-Mn-Ga Heusler alloys. The accurate magnetic symmetry analysis based on experimental neutron diffraction data, exploiting the Shubnikov theory, allows the determination of the correct magnetic space group of the system. A two-step process, featuring the ordering of the Ni and Mn sublattices at different temperatures, leads to the antiferromagnetic structure in martensite. A perfect, constrained by the symmetry, antiferromagnetic ordering of the Ni sublattice in the ``paramagnetic gap'' is observed, followed by the ordering of the Mn sublattice at lower temperatures. The observation of such antiferromagnetic structure clarifies the current debate on the presence of antiferromagnetic interactions in the (Ni,Co)-Mn-$X$ ($X=\mathrm{Ga}$, Sn, Sb, and In) ferromagnetic shape memory alloys and yields new insights in understanding the magnetostructural properties of this relevant class of materials.

We present an ab initio study of the electronic stopping power of protons in copper over a wide range of proton velocities $v = 0.02-10~\mathrm{a.u.}$ where we take into account non-linear effects. Time-dependent density functional theory coupled with molecular dynamics is used to study electronic excitations produced by energetic protons. A plane-wave pseudopotential scheme is employed to solve the time-dependent Kohn-Sham equations for a moving ion in a periodic crystal. The electronic excitations and the band structure determine the stopping power of the material and alter the interatomic forces for both channeling and off-channeling trajectories. Our off-channeling results are in quantitative agreement with experiments, and at low velocity they unveil a crossover region of superlinear velocity dependence (with a power of $\sim 1.5$) in the velocity range $v = 0.07-0.3~\mathrm{a.u.}$, which we associate to the copper crystalline electronic band structure. The results are rationalized by simple band models connecting two separate regimes. We find that the limit of electronic stopping $v\to 0$ is not as simple as phenomenological models suggest and it plagued by band-structure effects., 8 pages, 7 figures

We study a one-dimensional (1d) XXZ spin-chain in a random field on the metallic side of the many-body localization transition by level statistics. For a fixed interaction, and intermediate disorder below the many-body localization transition, we find that, asymptotically, the number variance grows faster than linear with a disorder dependent exponent. This is consistent with the existence of an anomlaous Thouless energy in the spectrum. In non-interacting disordered metals this is an energy scale related to the typical time for a particle to diffuse across the sample. In the interacting case it seems related to a more intricate anomalous diffusion process. This interpretation is not fully consistent with recent claims that, for intermediate disorder, level statistics are described by a plasma model with power-law decaying interactions whose number variance grows slower than linear. As disorder is further increased, still on the metallic side, the Thouless energy is gradually washed out. In the range of sizes we can explore, level statistics are scale invariant and approach Poisson statistics at the many-body localization transition. Slightly below the many-body localization transition, spectral correlations, well described by critical statistics, are quantitatively similar to those of a high dimensional, non-interacting, disordered conductor at the Anderson transition., A.M.G. acknowledges support from EPSRC, Grant No. EP/I004637/1., This is the author accepted manuscript. The final version is available from the American Physical Society via https://doi.org/10.1103/PhysRevB.94.144201

We find that if solid xenon is formed from liquid xenon, denoted ``ice,'' there is a 10% increase in $^{129}\mathrm{Xe}$ longitudinal relaxation ${T}_{1}$ time (taken at 77 K and 2 T) over a trickle-freeze formation, denoted ``snow.'' Forming xenon ice also gives an unprecedented reproducibility of $^{129}\mathrm{Xe}$ ${T}_{1}$ measurements across a range of 77--150 K. This temperature dependence roughly follows the theory of spin rotation mediated by Raman scattering of harmonic phonons, though it results in a smaller-than-predicted spin-rotation coupling strength ${c}_{K0}/h$. Enriched ice $^{129}\mathrm{Xe}$ ${T}_{1}$ experiments show no isotopic dependence of bulk relaxation mechanisms at 77 K and at kilogauss fields.

Incandescent sources that produce light from electrically heated filaments or films tend to feature low efficiencies and offer poor spectral and angular control. We demonstrate that a judicious nanostructuring of a SiC surface can focus thermal emission of a preselected spectral range to a well-defined height above the surface. SiC is known to support electromagnetic surface waves that afford the required thermal emission control. Here, we provide general design rules for this type of focusing element that can be extended to other material systems, such as metals supporting surface plasmon-polariton waves. These rules are verified using full-wave calculations of the spatial variation of thermal emission. The obtained results establish a foundation for developing more complex algorithms for the design of complex thermal lenses.

Using large-scale molecular dynamics simulations for a system of $10^6$ particles, the response of a dense amorphous solid to the continuous expansion of its volume is investigated. We find that the spatially uniform glassy state becomes unstable via the formation of cavities, which eventually leads to failure. By scanning through a wide range of densities and temperatures, we determine the state points at which the instability occurs and thereby provide estimates of the co-existence density of the resultant glass phase. Evidence for long-lived, inhomogeneous configurations with a negative pressure is found, where the frozen-in glass structure contains spherical cavities or a network of void space. Furthermore, we demonstrate the occurrence of hysteretic effects when the cavitated solid is compressed to regain the dense glassy state. As a result, a new glass state is obtained, the pressure of which is different from the initial one due to small density inhomogeneities that are generated by the dilation-compression cycle.

Thermal effects on the total charge density are studied for a one-dimensional correlated quantum dot by means of the path integral Monte Carlo method. The competition between Friedel and Wigner oscillations at zero temperature is driven by the ratio between the interaction of electronic strength and the kinetic energy of electrons. At the onset of the formation of a Wigner molecule, we show that thermal enhancement of Wigner oscillations occurs in a range of temperatures, which can be observed in the electron density. We further show that low-temperature Friedel oscillations may change to Wigner oscillations upon an increase in the temperature.

We propose a direct approach for calculating individual energy of polar semiconductor interfaces using density functional theory calculations. This approach is applied to polar interfaces between group-III nitrides (AlN and GaN) and SiC and clarifies the interplay of chemical bonding and charge neutrality at the interface, which is crucial for the stability and polarity of group-III nitrides on SiC substrates. The ideal interface is stabilized among various atomic arrangements over the wide range of the chemical potential on Si-face SiC, whereas those with intermixing are favorable on C-face SiC. The stabilization of the ideal interfaces resulting in Ga-polar GaN and Al-polar AlN films on Si-face SiC is consistent with experiments, suggesting that our approach is versatile to evaluate various polar heterojunction interfaces as well as group-III nitrides on semiconductor substrates.

We have conducted molecular dynamics (MD) simulations of quasi-isentropic ramp-wave compression to very high pressures over a range of strain rates from ${10}^{11}$ down to ${10}^{8}$ 1/s. Using scaling methods, we collapse wave profiles from various strain rates to a master profile curve, which shows deviations when material response is strain-rate dependent. Thus, we can show with precision where, and how, strain-rate dependence affects the ramp wave. We find that strain rate affects the stress-strain material response most dramatically at strains below 20%, and that above 30% strain the material response is largely independent of strain rate. We show good overall agreement with experimental stress-strain curves up to approximately 30% strain, above which simulated response is somewhat too stiff. We postulate that this could be due to our interatomic potential or to differences in grain structure and/or size between simulation and experiment. Strength is directly measured from per-atom stress tensor and shows significantly enhanced elastic response at the highest strain rates. This enhanced elastic response is less pronounced at higher pressures and at lower strain rates.

By using acoustic methods the complex high-frequency conductance of high-mobility $n$-GaAs/AlGaAs heterostructures was determined in magnetic fields 12--18 T. Based on the observed frequency and temperature dependences, we conclude that in the investigated magnetic field range and at sufficiently low temperatures, $T\ensuremath{\lesssim}200$ mK, the electron system forms a Wigner crystal deformed due to pinning by disorder. At some temperature, which depends on the electron filling factor, the temperature dependences of both components of the complex conductance get substantially changed. We have ascribed this rapid change of the conduction mechanism to melting of the Wigner crystal and study the dependence of the so-defined melting temperature on the electron filling factor.

The strained Fe-Co alloy in body-centered tetragonal (bct) structure has raised considerable interest due to its giant uniaxial magnetocrystalline anisotropy energy. On the basis of the classical H ...

International audience; We investigate the role of interatomic forces beyond the nearest neighbors on the thermal transport through an atomic junction with a heavy isotope impurity and in a silicon-germanium-like alloy with atomistic calculations. The thermal conductance of the junction incorporating second-nearest-neighbors forces reaches its minimum when the longitudinal optical phonon resonances in the phonon transmission are minimized. We relate the weakening of the optical phonon resonance with the flattening of the longitudinal optical phonon band of the infinite diatomic lattice with second-nearest-neighbors forces, which is the limit of an extended junction. We emphasize that the bypass of the heavy-atom components in the diatomic lattice by long-range interatomic bonds is crucial for the realization of the minimum in bulk thermal conductivity. We highlight the connection between the minimal thermal conductivity of a SiGe-like alloy with the flattening of the longitudinal optical phonon band of the diatomic lattice due to the second-nearest-neighbors forces, in combination with enhanced anharmonic phonon processes and phonon localizations.

We report on the study of terahertz radiation-induced MIRO-like oscillations of magnetoresistivity in GaAs heterostructures. Our experiments provide an answer on two most intriguing questions-effect of radiation helicity and the role of the edges-yielding crucial information for an understanding of the MIRO (microwave-induced resistance oscillations) origin. Moreover, we demonstrate that the range of materials exhibiting radiation-induced magneto-oscillations can be largely extended by using high-frequency radiation.

The melting curve of sodium for a pressure range up to 100 GPa has been evaluated by the orbital free ab initio molecular dynamics method. This method uses the electronic density as the basic variable combined with an approximate electronic kinetic energy functional and a local ionic pseudopotential and makes it possible to perform simulations with a large number of particles and for long simulation times. The calculated melting curve shows a maximum melting temperature at a pressure around 30 GPa followed by a steep decrease up to 100 GPa. For various pressures and temperatures we have evaluated several static properties, including average and local structure, electronic properties, like the electron localization function (ELF), and dynamic properties, both single-particle and collective ones, from which some transport coefficients are deduced. Despite the accurate reproduction of the available experimental data, we do not observe any indication of an early transition from a bcc-like to an fcc-like liquid, as suggested previously by other authors, but rather pressure-induced change in the variation of icosahedral-like order and bcc-like order, with no sign of fcc-like structures in the whole liquid range studied. We also consider the evolution of the ELF within this type of local arrangement upon pressurization. In the dynamic realm, we find an enlarged wave-vector region where atomic collisions play an important role in the dynamic properties of the system as pressure is increased and temperature decreased along the melting line, leading to a peculiar behavior of the dynamic properties.

Miniaturization of magnon-based devices into the nanometer range would require the utilization of exchange-dominated spin waves of nanometer wavelength. In experiment and theory we show that the intrinsic lifetime and mean free path of the homogeneous acoustic spin wave in ultrathin cobalt films is sufficiently long for such applications provided that the films are atomically flat. The presence of surface steps, however, shortens lifetime and mean free path. The experimental data are consistent with a model which assumes that steps act as perfect sinks for spin waves.

The photoinduced dynamics of a potassium-tetracyanoquinodimethane (K-TCNQ) single crystal in the generalized Peierls phase are evaluated via time-resolved vibrational spectroscopy. The transient reflectivity spectrum of the photoinduced state in the mid-IR range shows a decrease in the height and width of the reflectivity band because of the electron-molecular-vibration-coupled CN stretching mode at approximately 2180 ${\mathrm{cm}}^{\ensuremath{-}1}$. This spectral change suggests that the photoexcitation of the charge transfer in TCNQ molecules induces melting of the dimerization of the molecules. From detailed analysis of the spectral evolution, the relaxation time constant from the photoinduced state to the dimerized state is estimated to be approximately 0.6 ps. Even after the recovery of the dimerization, a fluctuation is still observed, probably because of a domain-wall soliton. The fluctuation gradually dissipates with a time constant of approximately 2.3 ps. Direct observation of the dimerization process reveals the true dynamics of the photoinduced cooperative phenomenon within this system.

The current density-voltage (J-V) characteristics of hole-only diodes based on poly(2-methoxy, 5-(2′ ethyl-hexyloxy)-p-phenylene vinylene) (MEH-PPV) were measured at a wide temperature and field range. At high electric fields the temperature dependence of the transport vanishes, and all J-V sweeps converge to a power law. Nuclear tunneling theory predicts a power law at high fields that scales with the Kondo parameter. To model the J-V characteristics we have performed master-equation calculations to determine the dependence of charge carrier mobility on electric field, charge carrier density, temperature, and Kondo parameter, using nuclear tunneling transfer rates. We demonstrate that nuclear tunneling, unlike other semiclassical models, provides a consistent description of the charge transport for a large bias, temperature, and carrier density range. cop. 2016 authors. Published by the American Physical Society.

We demonstrate the capability of two molecular organic acceptors [1,4,5,8,9,12-hexaazatriphenylenehexacarbonitrile and 2,2\ensuremath{'}-(perfluoronaphthalene-2,6-diylidene)dimalononitrile] to tune the work function (\ensuremath{\Phi}) of intrinsically doped GaN(0001) and for comparison of intrinsically doped ZnO(0001). With ultraviolet photoelectron spectroscopy we determine the accessible \ensuremath{\Phi} range as 4.2--6.0 eV for GaN and 3.9--6.3 eV for ZnO. The contribution to the \ensuremath{\Phi} change (\ensuremath{\Delta}\ensuremath{\Phi}) of acceptor-induced surface band bending within GaN was significantly smaller than in ZnO (0.35 versus 1 eV), which we attribute to surface gap states. We introduce a model that takes these surface states into account and thus allows quantifying the impact of the semiconductor bulk doping level and surface state density on \ensuremath{\Delta}\ensuremath{\Phi}. The lower the doping level is, the lower the surface state density needs to be to reduce the band bending contribution to \ensuremath{\Delta}\ensuremath{\Phi}. This limits the maximum value of \ensuremath{\Phi} tuning for GaN with molecular acceptors, whereas, on the other hand, it renders the method robust against surface structural disorder.

Raman spectroscopy is used to study magnetic excitations in the quasi-one-dimensional $S=1/2$ quantum spin systems $\text{Cu}(\mathrm{Qnx}){({\mathrm{Cl}}_{1\ensuremath{-}x}{\mathrm{Br}}_{x})}_{2}$. The low energy spectrum is found to be dominated by a two-magnon continuum as expected from the numerical calculations for the Heisenberg spin ladder model. The continuum shifts to higher energies as more Br is introduced. The cutoff of the scattering increases faster than the onset indicating that the increase of the exchange constant along the leg is the main effect on the magnetic properties. The upper and lower continuum thresholds are measured as a function of Br content across the entire range and compared to estimates based on previous bulk studies. We observe small systematic deviations that are discussed.

Raman spectroscopy and powder x-ray diffraction methods have been used to characterize a novel phase of nitrogen which forms on compression from ambient pressure at low temperatures. The new, $\ensuremath{\lambda}$, phase exhibits an exceptionally wide range of pressure stability from below 1 to 140 GPa, overlapping nine other known phases. On heating, its transformations are different to those observed in other phases, implying that the phase nitrogen adopts depends not only on $P\text{\ensuremath{-}}T$ path, but also on the initial structural configuration, which greatly complicates its phase diagram.

Microwave induced resistance and photovoltage oscillations were investigated in ${\mathrm{Mg}}_{x}{\mathrm{Zn}}_{1\ensuremath{-}x}\mathrm{O}/\text{ZnO}$ heterostructures. The physics of these oscillations is controlled significantly by scattering mechanisms, and therefore these experiments were motivated by the recently achieved high quality levels in this material and the apparent dominance of large angle, short-range scattering, which is distinct from the prevailing small angle scattering in state-of-the-art GaAs structures. Within the studied frequency range of 35--120 GHz, up to four oscillations were resolved at 1.4 K temperature, but only in high density samples. This allowed us to extract the value of the effective electron mass ${m}^{*}=(0.35\ifmmode\pm\else\textpm\fi{}0.01){m}_{0}$, which is enhanced over the bare band mass, and estimate a local quantum scattering time of about 5 ps.

Probing the ferroelectricity at the nanometer scale is of particular interest for a wide range of applications. In this Rapid Communication, the structural distortion of ${\mathrm{BaTiO}}_{3}$ (BTO) is studied in its ferroelectric (rhombohedral and tetragonal), and paraelectric phases from the O $K$ near edge structures in electron energy loss spectroscopy. Modifications of the electronic structure are detected in the lowest energy fine structure (FS) of the O $K$ edge in the ferroelectric phases, and are interpreted by core-hole valence-electron screening geometry. For the paraelectric phase, the lowest energy FS of the O $K$ edge is comparable to the one obtained at room temperature, which is inconsistent with an expected cubic structure. The variations observed in the O $K$ near edge structures, such as a broader and more asymmetric lowest energy FS at low temperature, suggest that the magnitude of the $\mathrm{Ti}^{4+}$ off-centering along $\ensuremath{\langle}111\ensuremath{\rangle}$ increases in lower-temperature phases. These findings demonstrate the sensitivity of the O $K$ near edge structures to the structural distortions of BTO polymorphs, and form a basis for further investigations on defective or strained BTO at the nanoscale.

One of the goals in understanding any new class of superconductors is to search for commonalities with other known superconductors. The present work investigates the superconducting condensation energy, $U$, in the iron based superconductors (IBSs), and compares their $U$ with a broad range of other distinct classes of superconductor, including conventional BCS elements and compounds and the unconventional heavy fermion, $\mathrm{S}{\mathrm{r}}_{2}\mathrm{Ru}{\mathrm{O}}_{4},\phantom{\rule{0.16em}{0ex}}\mathrm{L}{\mathrm{i}}_{0.1}\mathrm{ZrNCl},\phantom{\rule{0.16em}{0ex}}\ensuremath{\kappa}{\text{-(BEDT-TTF})}_{2}\mathrm{Cu}(\mathrm{NCS}{)}_{2}$, and optimally doped cuprate superconductors. Surprisingly, both the magnitude and ${T}_{c}$ dependence $(U\ensuremath{\propto}{T}_{c}^{3.4\ifmmode\pm\else\textpm\fi{}0.2})$ of $U$ are---contrary to the previously observed behavior of the specific heat discontinuity at ${T}_{c}$, $\ensuremath{\Delta}C$---quite similar in the IBS and BCS materials for ${T}_{c}g1.4$ K. In contrast, the heavy fermion superconductors' $U$ vs ${T}_{c}$ are strongly (up to a factor of 100) enhanced above the IBS/BCS while the cuprate superconductors' $U$ are strongly (factor of 8) reduced. However, scaling of $U$ with the specific heat \ensuremath{\gamma} (or $\mathrm{\ensuremath{\Delta}}C$) brings all the superconductors investigated onto one universal dependence upon ${T}_{c}$. This apparent universal scaling $U/\phantom{\rule{0.0pt}{0ex}}\ensuremath{\gamma}\ensuremath{\propto}{T}_{c}^{2}$ for all superconductor classes investigated, both weak and strong coupled and both conventional and unconventional, links together extremely disparate behaviors over almost seven orders of magnitude for $U$ and almost three orders of magnitude for ${T}_{c}$. Since $U$ has not yet been explicitly calculated beyond the weak coupling limit, the present results can help direct theoretical efforts into the medium and strong coupling regimes.

We experimentally investigate charge carrier transport in a graphene $p\ensuremath{-}n$ junction device by using independent $p$-type and $n$-type electrostatic gating which allow full characterization of the junction interface in the quantum Hall regime covering a wide range of filling factors $[\ensuremath{-}10\ensuremath{\le}({\ensuremath{\nu}}_{1},\phantom{\rule{0.16em}{0ex}}{\ensuremath{\nu}}_{2})\ensuremath{\le}10]$. Recent charge transport measurements across a graphene $p\ensuremath{-}n$ junction in this quantized regime presume that equilibration of all of the Landauer-B\"uttiker edge states occurs across the $p\ensuremath{-}n$ junction interface. Here we show that, in our devices, only the edge state associated with the lowest Landau level fully equilibrate across the $p\ensuremath{-}n$ junction, while none of the other edge states equilibrate to transmit current across the junction.

Indirect absorption plays an important role in the transparency of transparent conducting oxides. The authors perform a detailed first-principles study of phonon- and charged-impurity-assisted free-carrier absorption, using SnO${}_{2}$ as an example system. They were able to make a quantitative prediction of the absorption cross section due to free carriers, to determine the range of validity of the Fr\"ohlich model, which is commonly used to describe the electron-phonon interaction, and to explain where and how the model breaks down. This study also accounts for the weak temperature dependence of the free-carrier absorption commonly seen by experiment, and compares the phonon-related absorption mechanism with the absorption caused by interactions with defects to find that defects dominate only for concentrations about 10${}^{20}$ cm${}^{-3}$.

Tuning the spin-orbit coupling strength via foreign element doping and modifying bonding strength via strain engineering are the major routes to convert normal insulators to topological insulators. We here propose an alternative strategy to realize topological phase transition by tuning the orbital level. Following this strategy, our first-principles calculations demonstrate that a topological phase transition in the cubic perovskite-type compounds ${\mathrm{CsGeBr}}_{3}$ and ${\mathrm{CsSnBr}}_{3}$ could be facilitated by carbon substitutional doping. Such a unique topological phase transition predominantly results from the lower orbital energy of the carbon dopant, which can pull down the conduction bands and even induce band inversion. Beyond conventional approaches, our finding of tuning the orbital level may greatly expand the range of topologically nontrivial materials.

In time-dependent density functional theory and Ehrenfest dynamics are used to calculate the electronic excitations produced by a moving Ni ion in a Ni crystal in the case of energetic MeV range (electronic stopping power regime), as well as thermal energy meV range (electron-phonon interaction regime). Results at high energy compare well to experimental databases of stopping power, and at low energy the electron-phonon interaction strength determined in this way is very similar to the linear response calculation and experimental measurements. Our approach to electron-phonon interaction as an electronic stopping process provides the basis for a unified framework to perform classical molecular dynamics of ion-solid interaction with ab initio type nonadiabatic terms in a wide range of energies.

Energy transfer from electrons to phonons is an important consideration in any Weyl or Dirac semimetal based application. In this work, we analytically calculate the cooling power of acoustic phonons, i.e. the energy relaxation rate of electrons which are interacting with acoustic phonons, for Weyl and Dirac semimetals in a variety of different situations. For cold Weyl or Dirac semimetals with the Fermi energy at the nodal points, we find the electronic temperature, $T_e$, decays in time as a power law. In the heavily doped regime, $T_e$ decays linearly in time far away from equilibrium. In a heavily doped system with short-range disorder we predict the cooling power of acoustic phonons is drastically increased because of an enhanced energy transfer between electrons and phonons. When an external magnetic field is applied to an undoped system, the cooling power is linear in magnetic field strength and $T_e$ has square root decay in time, independent of magnetic field strength over a range of values., Comment: 12 pages

We systematically investigate the spin-pumping effect in a series of yttrium-iron-garnet (YIG)--platinum (Pt) bilayers, comparing both broadband ferromagnetic resonance and electrically detected spin-pumping experiments. We infer the effective spin-mixing conductance as a function of YIG and Pt layer thickness from ferromagnetic resonance measurements on pure YIG layers as well as on bilayer YIG/Pt samples in a frequency range from 2 to 20 GHz. In bare YIG films, we determine a Gilbert damping constant of approximately $\ensuremath{\alpha}=0.001$. With an additional platinum layer on top of the YIG samples, the damping is significantly enhanced. The effective spin-mixing conductance extracted from the ferromagnetic resonance experiments is in agreement with that determined from independent electrically detected spin-pumping experiments.

By taking into account the possibility of all the intralayer as well as the interlayer current orderings, we derive an eight-band model for interacting electrons in bilayer graphene. With the numerical solution to the model, we show that only the current orderings between the same sublattice sites can exist within the range of the physical interacting strength. This result confirms our previous model of spin-polarized-current phase for the ground-state of interacting electrons in bilayer graphene that resolves a number of experimental puzzles., Comment: 10+ pages, 8 figures