Related papers: Effective Scattering Cross-section in Lattice Ther…
Several variants of the recently proposed Density Matrix Embedding Theory (DMET) [G. Knizia and G. K-L. Chan, Phys. Rev. Lett. 109, 186404 (2012)] are formulated and tested. We show that spin symmetry breaking of the lattice mean-field…
Short pitch deformed helix ferroelectric liquid crystals have numerous applications as active materials in displays, optical telemetry and biomedical devices. In this paper, we derive convenient analytical formulas to calculate the…
Nano-patterning has been shown to be a powerful tool for manipulating the vibrational modes of elastic structures, with applications such as optical-mechanical mode coupling. Inspired by these recent developments in phononic band…
We propose a fully non-perturbative method to compute inelastic lepton-nucleon ($\ell N$) scattering cross sections using lattice QCD. The method is applicable even at low energies, such as the energy region relevant for the recent and…
We present a finite-temperature extension of density matrix embedding theory (FT-DMET) for realistic crystalline systems. We describe a practical framework for constructing extended bath orbitals, solving the embedding problem, and…
It has been argued that in atomic-resolution transmission electron microscopy (TEM) of sparse weakly scattering structures, such as small biological molecules, multiple electron scattering usually has only a small effect, while the…
The use of structurally complex lattice defects, such as functional groups, embedded nanoparticles, and nanopillars, to generate phonon scattering is a popular approach in phonon engineering for thermoelectric applications. However, the…
Nanophotonic engineering of light-matter interaction at subwavelength scale allows thermal radiation that is fundamentally different from that of traditional thermal emitters and provides exciting opportunities for various thermal-photonic…
Phonon surface scattering has been at the core of heat transport engineering in nanoscale structures and devices. Herein, we demonstrate that this phonon pathway can be the sole mechanism only below a characteristic, size-dependent…
We build an effective medium theory for two-dimensional photonic crystals comprising a rectangular lattice of dielectric cylinders with the incident electric field polarized along the axis of the cylinders. In particular, we discuss the…
Heat transport at nanoscales in semiconductors is investigated with a statistical method. The Boltzmann Transport Equation (BTE) which characterize phonons motion and interaction within the crystal lattice has been simulated with a Monte…
The complex interplay of elastic and inelastic scattering amenable to different levels of approximation constitutes the major challenge for the computation and hence interpretation of TEM-based spectroscopical methods. The two major…
Measuring nanoscale local temperatures, particularly in vertically integrated and multi-component systems, remains challenging. Spectroscopic techniques like X-ray absorption and core-loss electron energy-loss spectroscopy (EELS) are…
A novel efficient method to calculate the scattering matrix (SM) of arbitrary tight-binding Hamiltonians is proposed, including cases with multiterminal structures. In particular, the SM of two kind of fundamental structures are given,…
Phonon scattering by electrons, or "phonon-electron scattering", has been recognized as a significant scattering channel for phonons in materials with high electron concentration, such as thermoelectrics and nanoelectronics, even at room…
Heat transfer in layered metal-dielectric structures is considered theoretically based on an analytical solution of the Boltzmann transfer equation for the phonon distribution function. Taking into account the size effect, the problem of…
In this article we propose and numerically implement a mathematical model for the simulation of three-dimensional semiconductor devices characterized by an heterogeneous material structure. The model consists of a system of nonlinearly…
In this paper, a two-dimensional Dirichlet-to-Neumann (DtN) finite element method (FEM) is developed to analyze the scattering of SH guided waves due to an interface delamination in a bi-material plate. During the finite element analysis,…
Thermal conductivity of nanocrystalline and ultra-nanocrystalline films is analyzed with effective medium theory (EMT) models. The existing EMT models use the spherical inclusion approximation. Although this approximation works quite well…
We investigate the nanoscale mechanisms determining lattice thermal conductivity (LTC) of pristine and W-doped MX$_2$-M$^\prime$X$^\prime_2$ transition metal dichalcogenide heterobilayers from first principles, using the exact solution of…