Related papers: Accurate quadratic-response approximation for the …
The use of a special quasirandom structure (SQS) is a rational and efficient way to approximate random alloys. A wide variety of physical properties of metallic and semiconductor random alloys have been successfully estimated by a…
Classical effective potentials are indispensable for any large-scale atomistic simulations, and the relevance of simulation results crucially depends on the quality of the potentials used. For complex alloys like quasicrystals, however,…
We present experimental magnetotunneling results and atomistic pseudopotential calculations of quasiparticle electron and hole wave functions of self-assembled InAs/GaAs quantum dots. The combination of a predictive theory along with the…
Within the infinite series of ring (or bubble) diagram approximation for the electronic self-energy as appropriate for the long-range Coulomb interaction, we calculate the density-dependent T=0 Fermi liquid quasiparticle effective mass…
The challenge of finding an absolute reference energy from first-principles simulations to realigning semiconductor's valence band-top and conduction band-bottom, a theoretical methodology is proposed based on plane-wave calculations as…
Using a semiclassical ansatz we analytically predict for the fidelity of delta-kicked rotors the occurrence of revivals and the disappearance of intermediate revival peaks arising from the breaking of a symmetry in the initial conditions. A…
We calculate the quasiparticle density of states (DoS) inside the vortex core in a granular superconductor, generalizing the classical solution applicable for dirty superconductors. A discrete version of the Usadel equation for a vortex is…
PT-symmetric potentials $V({x}) = -{x}^4 +\j B {x}^3 + C {x}^2+\j D {x} +\j F/{x} +G/{x}^2$ are quasi-exactly solvable, i.e., a specific choice of a small $G=G^{(QES)}= integer/4$ is known to lead to wave functions $\psi^{(QES)}(x)$ in…
We use realistic pseudopotentials and a plane-wave basis to study the electronic structure of non-periodic, three-dimensional, 2000-atom (AlAs)_n/(GaAs)_m (001) superlattices, where the individual layer thicknesses n,m = {1,2,3} are…
Quantum dots (QDs) made from semiconductors are among the most promising platforms for the developments of quantum computing and simulation chips, and have advantages over other platforms in high density integration and in compatibility to…
A simple procedure to incorporate one-loop quantum electrodynamic (QED) corrections into the generalized (Gatchina) nonlocal shape-consistent relativistic pseudopotential model is described. The pseudopotentials for Lu, Tl, and Ra replacing…
We develop a semiclassical density functional theory in the context of quantum dots. Coulomb blockade conductance oscillations have been measured in several experiments using nanostructured quantum dots. The statistical properties of these…
We have implemented the so called GW approximation (GWA) based on an all-electron full-potential Projector Augmented Wave (PAW) method. For the screening of the Coulomb interaction W we tested three different plasmon-pole dielectric…
First principle calculations based on LDA/GGA approximation for the exchange functional underestimate the position of the semi core 3d levels in GaX (X = N, P and As) semiconductors. A self-interaction correction scheme within the…
We investigate the optical response properties of three-dimensional Luttinger semimetals with the Fermi energy close to a quadratic band touching point. In particular, in order to address recent experiments on the spectroscopy of Pyrochlore…
A closed-form expression of the retarded quadratic density response function of a two dimensional non-relativistic electron gas at zero temperature is written in terms of a non-analytic complex function. A careful analysis is made of the…
Abrikosov vortices, where the superconducting gap is completely suppressed in the core, are dissipative, semi-classical entities that impact applications from high-current-density wires to superconducting quantum devices. In contrast, we…
We derive interatomic potentials for zinc blende InAs, InP, GaAs and GaP semiconductors with possible applications in the realm of nanostructures. The potentials include bond stretching interaction between the nearest and next-nearest…
Here we present a self-consistent quasi-particle model for quark-gluon plasma and apply it to explain the non-ideal behaviour seen in lattice simulations. The basic idea, borrowed from electrodynamic plasma, is that the gluons acquire mass…
We present a formulation of relativistic self-consistent $GW$ for solids based on the exact two-component formalism with one-electron approximation (X2C1e) and non-relativistic Coulomb interactions. Our theory allows us to study scalar…