Related papers: Machine-learning potential for phonon transport in…
Ovonic threshold switching (OTS) selectors play a critical role in non-volatile memory devices because of their nonlinear electrical behavior and polarity-dependent threshold voltages. However, the atomic-scale origins of the defect states…
The transport properties of carriers in semiconducting graphene nanoribbons are studied by comparing the effects of phonon, impurity, and line-edge roughness scattering. It is found that scattering from impurities located at the surface of…
Utilizing atomistic lattice dynamics and scattering theory, we study thermal transport in nanodevices made of 10 nm thick silicon nanowires, from 10 to 100 nm long, sandwiched between two bulk reservoirs. We find that thermal transport in…
We study nonlinear transport and non-equilibrium current noise in quasi-classical point contacts (PCs) defined in a low-density high-quality two-dimensional electron system in GaAs. At not too high bias voltages $V$ across the PC the noise…
Recently, machine-learning approaches have accelerated computational materials design and the search for advanced solid electrolytes. However, the predictors are currently limited to static structural parameters, which may not fully account…
In this paper, we propose a combined modeling of molecular mechanics (MM) and the tight-binding (TB) approach, which enables us to study the effect of factors such as external local forces, constraints, and vacancy defects on electronic…
To elucidate the relationship between a crystal's structure, its thermal conductivity, and its phonon dispersion characteristics, an analysis is conducted on layered diatomic Lennard-Jones crystals with various mass ratios. Lattice dynamics…
Developing machine learning-based interatomic potentials from ab-initio electronic structure methods remains a challenging task for computational chemistry and materials science. This work studies the capability of transfer learning, in…
We present an \emph{ab-initio} study that identifies the main electron-phonon scattering channels in $n$-type PbTe. We develop an electronic transport model based on the Boltzmann transport equation within the transport relaxation time…
Phonons, quantized vibrations of the atomic lattice, are fundamental to understanding thermal transport, structural stability, and phase behavior in crystalline solids. Despite advances in computational materials science, most predictions…
Recently, three-component new fermions in topological semimetal MoP are experimentally observed, which may have potential applications like topological qubits, low-power electronics and spintronics. These are closely related to thermal…
The electron-phonon interaction and related transport properties are investigated in monolayer silicene and MoS2 by using a density functional theory calculation combined with a full-band Monte Carlo analysis. In the case of silicene, the…
We propose a multimodal fusion network (MFN) for precise micro-displacement measurement using a modified Michelson interferometer. The model resolves the intrinsic half-wave displacement ambiguity that limits conventional single-wavelength…
The coherence properties of mechanical resonators are often limited by multiple unavoidable forms of loss -- including phonon-phonon and phonon-defect scattering -- which result in the scattering of sound into other resonant modes and into…
Phonon transport across a vacuum gap separating intrinsic silicon crystals is predicted via the atomistic Green's function method combined with first-principles calculations of all interatomic force constants. The overlap of electron wave…
In recent years, Sound AI is being increasingly used to predict machine failures. By attaching a microphone to the machine of interest, one can get real time data on machine behavior from the field. Traditionally, Convolutional Neural Net…
Interface phonon modes that are generated by several atomic layers at the heterointerface play a major role in the interface thermal conductance for nanoscale high-power devices such as nitride-based high-electron-mobility transistors and…
By means of a multi-scale first-principles approach, a description of the local electronic structure of two-dimensional and narrow phosphorene sheets with various types of modifications is presented. First, a rational argument based on the…
In this work, a new theoretical approach to study the non-equilibrium transport properties of nanoscale systems coupled to metallic electrodes with strong electron-phonon interactions is presented. The proposed approach consists in a…
Non-diffusive thermal transport has gained extensive research interest recently due to its important implications on fundamental understanding of material phonon mean free path distributions and many nanoscale energy applications. In this…