Related papers: Validating First-Principles Phonon Lifetimes via I…
Phonon transmission across an interface between dissimilar crystalline solids is calculated using molecular dynamics simulations with interatomic force constants obtained from first principles. The results reveal that although inelastic…
The spherically averaged structure function $\soq$ obtained from pulsed neutron powder diffraction contains both elastic and inelastic scattering via an integral over energy. The Fourier transformation of $\soq$ to real space, as is done in…
First-principles calculations combining density functional theory and many-body perturbation theory can provide microscopic insight into the dynamics of electrons and phonons in materials. We review this theoretical and computational…
Tunneling of quasiparticles between two nearly-aligned graphene sheets produces resonant current-voltage characteristics because of the quasi-exact conservation of in-plane momentum. We claim that, in this regime, vertical transport in…
The electronic transport behaviour of materials determines their suitability for technological applications. We develop an efficient method for calculating carrier scattering rates of solid-state semiconductors and insulators from first…
Topological semimetals have revealed a wide array of novel transport phenomena, including electron hydrodynamics, quantum field theoretic anomalies, and extreme magnetoresistances and mobilities. However, the scattering mechanisms central…
With the increasing applications of Phosphorene in nano/optoelectronics and thermoelectrics, a comprehensive study on its thermal transport properties is necessary. It has been concluded from previous studies that there exist vast…
The monolayer of black phosphorous, or phosphorene, has recently emerged as a new 2D semiconductor with intriguing highly anisotropic transport properties. Existing calculations of its intrinsic phonon-limited electronic transport…
We have calculated the non-equilibrium quasiparticle and phonon distributions $f(E)$, $n(\Omega)$, where $E$ and $\Omega$ are the quasiparticle and phonon energies respectively, generated by the photons of the probe signal of a low…
We have carried out an extensive phonon study on multiferroic GaFeO3 to elucidate its dynamical behavior. Inelastic neutron scattering measurements are performed over a wide temperature range, 150 to 1198 K. First principles lattice…
Inelastic x-ray scattering (IXS) was used to study the Cu-O bond-stretching vibrations in the static stripe phase compound La1.48Nd0.4Sr0.12CuO4. It was found that the intrinsic width in Q-space of the previously reported huge anomalous…
The longitudinal friction acting on a vortex line in superfluid $^4$He is investigated within a simple model based on the analogy between such vortex dynamics and that of the quantal Brownian motion of a charged point particle in a uniform…
Intrinsic limits to device performance arise from fundamental material properties that define the best achievable operation, independent of engineering constraints. In GaN high-electron-mobility transistors (HEMTs), hot longitudinal optical…
The Time-of-Flight and Neutron-Spin-Echo techniques have been applied for the research of ultrasonic effect at the cold neutron diffraction in mosaic single crystals (KBr and mica). It was found that h.f. ultrasound intensifies…
It was recently shown [Y. Suzuki, L. Lacombe, K. Watanabe, and N. T. Maitra, Phys. Rev. Lett. 119, 263401 (2017)] that peak and valley structures in the exact exchange-correlation potential of time-dependent density functional theory are…
The occurrence of thermal transport phenomena is widespread, exerting a pivotal influence on the functionality of diverse electronic and thermo-electric energy-conversion devices. The traditional first-principles theory governing the…
We present time-of-flight inelastic neutron scattering measurements of $La_{1.965}Ba_{0.035}CuO_{4}$ (LBCO), a lightly doped member of the high temperature superconducting La-based cuprate family. By using time-of-flight neutron…
We consider the scattering matrix approach to quantum electron transport in meso- and nano-conductors. This approach is an alternative to the more conventional kinetic equation and Green's function approaches, and often is more efficient…
The study of wave propagation and scattering in time-dependent materials is a rapidly growing field of research. Whereas for 1D applications there is a simple relation between the wave equations for space-dependent and time-dependent…
We propose a test of conformal invariance in critical phenomena based on the study of a two-point correlation function in the presence of a boundary. This two-point function can be studied using X-ray or neutron scattering in the conditions…