相关论文: Radiative capture rates at deep defects from elect…

This letter proposes a new splitting receiver design with joint envelope detection (ED) and coherent detection (CD). To characterize its fundamental performance limit, we conduct high signal-to-noise ratio (SNR) analysis on the proposed…

We present a simple and efficient approximation to the electron-phonon scattering rate suitable for high-throughput screening of candidate materials for thermoelectric devices, based on electronic transport. The method is applied to…

Graphynes, a class of two-dimensional carbon allotropes, exhibit exceptional electronic properties, similar to graphene, but with intrinsic band gaps, making them promising for semiconducting applications. The incorporation of acetylene…

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…

For solar conditions, we numerically integrate the density matrix equation for a thermal electron in the field of a Be-7 ion and other plasma ions and smeared-out electrons. Our results are in agreement with previous calculations that are…

We demonstrate saturable absorber behavior of n-type semiconductors GaAs, GaP and Ge in THz frequency range at room temperature using nonlinear THz spectroscopy. The saturation mechanism is based on a decrease in electron conductivity of…

Density functional theory is the workhorse of modern electronic structure calculations, with wide-ranging applications in chemistry, physics, materials science, and machine learning. At its heart lies the exchange-correlation functional, a…

We study nonequilibrium carriers (electrons and holes) in an intrinsic graphene at low temperatures under far- and mid-infrared (IR) radiation in a wide range of its intensities. The energy distributions of carriers are calculated using a…

The conditions for optimal reflection-free complex-absorbing potentials (CAPs) are discussed. It is shown that the CAPs as derived from the smooth-exterior-scaling transformation of the Hamiltonian,[J. Phys. B. 31, 1431 (1998)], serve as…

We perform total energy calculations based on the tight-binding Hamiltonian scheme (i) to study the structural properties and energetics of the extended {311} defects depending upon their dimensions and interstitial concentrations and (ii)…

The ability to control electronic states at the nanoscale has contributed to our modern understanding of condensed matter. In particular, quantum dot circuits represent model systems for the study of strong electronic correlations,…

Cadmium has been used historically as an important component of integral experiments because of its high thermal neutron absorption cross section. Correct interpretation of such experiments depends on accurate differential neutron cross…

We describe a charge-conserving scatter-gather algorithm for particle-in-cell simulations on unstructured grids. Charge conservation is obtained from first principles, i.e., without the need for any post-processing or correction steps. This…

High-energy physics detectors, like Low Gain Avalanche Detectors (LGADs) that will be used as fast timing detectors in the High Luminosity LHC experiments, have to exhibit a significant radiation tolerance. Thereby the impact of radiation…

Lattice simulations of QCD have produced precise estimates for the masses of the lowest-lying hadrons which show excellent agreement with experiment. By contrast, lattice results for the vector and axial vector form factors of the nucleon…

Standard approximations for the exchange-correlation (XC) functional in Kohn-Sham density functional theory (KS-DFT) typically lead to unacceptably large errors when applied to strongly-correlated electronic systems. Partition-DFT (PDFT) is…

Electron-defect ($e$-d) interactions govern charge carrier dynamics at low temperature, where they limit the carrier mobility and give rise to phenomena of broad relevance in condensed matter physics. Ab initio calculations of $e$-d…

An oversight of some previous density functional calculations of the band gaps of wurtzite and cubic InN and of wurtzite GaN by Rinke et al. [Appl. Phys. Lett. 89,161919, 2006] led to an inaccurate and misleading statement relative to…

Correlators at finite density and temperature encode important information about a physical system, such as transport and causality. For a massive gas of particles in the relaxation time approximation of kinetic theory, we provide complete…

We present a module to calculate the mobility and conductivity of semi-conducting materials using Rode's algorithm. This module uses a variety of electronic structure inputs derived from the Density Functional Theory (DFT). We have…