Related papers: Impact ionization in GaAs: a screened exchange den…
In the exact Kohn-Sham density-functional theory (DFT), the total energy versus the number of electrons is a series of linear segments between integer points. However, commonly used approximate density functionals produce total energies…
Effects of circulating energetic particles on the geodesic acoustic modes (GAMs) with finite wave numbers are analyzed by using the hybrid kinetic-fluid model. The dispersion relation is derived by adopting the slowing beam ions…
The anisotropy of the Fe-based superconductors is much smaller than that of the cuprates and the theoretical calculations. A credible understanding for this experimental fact is still lacking up to now. Here we experimentally study the…
We have addressed the existing ambiguity regarding the effect of process-induced strain in the underlying GaN layer on AlGaN/GaN heterostructure properties. The bandgaps and offsets for AlGaN on strained GaN are first computed using a cubic…
In this work, visible and extreme ultraviolet spectra of W7+ are measured using the high-temperature superconducting electron-beam ion trap (EBIT) at the Shanghai EBIT Laboratory under extremely low-energy conditions (lower than the nominal…
We report the observation of large ($\sim 40%$) laser-induced above-bandgap transparency in GaAs at room temperature. The induced transparency is present only during the pulse width of the driving midinfrard laser pulses and its spectral…
We report on the analysis of electroabsorption in thin GaAs/Al$_{0.3}$Ga$_{0.7}$As nanophotonic waveguides with an embedded $p$-$i$-$n$ junction. By measuring the transmission through waveguides of different lengths, we derive the…
We present an approach based on density-functional theory for the calculation of fundamental gaps of both finite and periodic two-dimensional (2D) electronic systems. The computational cost of our approach is comparable to that of total…
Ion sources using electron impact ionization (EI) methods have been widely accepted in mass spectrometry for planetary exploration missions because of their simplicity. Previous space-borne mass spectrometers were primarily designed with…
Using the time-dependent Lanczos method, we study the non-equilibrium dynamics of the half-filled one-dimensional ionic Hubbard model, deep within the Mott insulating regime, under the influence of a transient laser pulse. In equilibrium,…
We have studied the electronic structure of InN and GaN employing G0W0 calculations based on exact-exchange density-functional theory. For InN our approach predicts a gap of 0.7 eV. Taking the Burnstein-Moss effect into account, the…
Ab initio wavefunction based methods are applied to the study of electron correlation effects on the band structure of oxide systems. We choose MgO as a prototype closed-shell ionic oxide. Our analysis is based on a local Hamiltonian…
High-entropy alloys (HEAs) exhibit exceptional catalytic performance due to their complex surface structures. However, the vast number of active binding sites in HEAs, as opposed to conventional alloys, presents a significant computational…
A new implementation of the GW approximation (GWA) based on the all-electron Projector-Augmented-Wave method (PAW) is presented, where the screened Coulomb interaction is computed within the Random Phase Approximation (RPA) instead of the…
We have developed an efficient computational scheme utilizing the real-space finite-difference formalism and the projector augmented-wave (PAW) method to perform precise first-principles electronic-structure simulations based on the density…
In this paper, the ionization and recombination coefficients of dense semiclassical hydrogen plasma on the basis of the effective interaction potential have been investigated. For this goal the Bohr$-$Lindhard method and method phase…
We analyze the inelastic electron-electron scattering in undoped graphene within the Keldysh diagrammatic approach. We demonstrate that finite temperature strongly affects the screening properties of graphene, which, in turn, influences the…
The modeling of non-local-thermodynamic-equilibrium plasmas is crucial for many aspects of high-energy-density physics. It often requires collisional-radiative models coupled with radiative-hydrodynamics simulations. Therefore, there is a…
In this paper, we propose a gauge-invariant way to define and calculate the effective mass for quasiparticles in systems with gauge interactions, and apply it to a model closely related to the half-filled Landau level problem. Our model is…
We present a benchmark of the density functional linear response calculation of NMR shieldings within the Gauge-Including Projector-Augmented-Wave method against all-electron Augmented-Plane-Wave$+$local-orbital and uncontracted Gaussian…