Related papers: Accurate quadratic-response approximation for the …
Gaussian Process Regression-based Gaussian Approximation Potential has been used to develop machine-learned interatomic potentials having density-functional accuracy for free sodium clusters. The training data was generated from a large…
First-principles calculations rely heavily on pseudopotentials, yet their impact on accuracy is hardly addressed. In this work, we show that most pseudopotentials to date introduce errors, which manifest themselves as errors of atomic…
New results for electric dipole strength in the chain of even-even Calcium isotopes with the mass numbers A = 40 - 54 are presented. Starting from the covariant Lagrangian of Quantum Hadrodynamics, spectra of collective vibrations (phonons)…
The decay of a quasiparticle in an isolated quantum dot is considered. At relatively small time the probability to find the system in the initial state decays exponentially: $P(t)\sim \exp(-\Gamma t)$, in accordance with the golden rule.…
We present a multiscale approach for modeling an intermediate-band solar cell based on a GaAs-GaAlAs quantum dot superlattice of cubic symmetry. Our framework combines high-accuracy theoretical calculations of the superlattice band…
We present a theoretical analysis of mid-infrared radiative recombination in InAs/GaSb superlattices (SLs). We employ a semi-analytical plane wave expansion method in conjunction with an 8-band $\mathbf{k} \cdot \mathbf{p}$ Hamiltonian to…
We study theoretically the nonlinear optical response of a two-dimensional semiconductor quantum dot supercrystal under a resonant continuous wave excitation. A single quantum dot is modeled as a three-level ladder-like system with the…
Neutrino-nucleus quasielastic scattering is studied in the plane wave impulse approximation for three nuclear models: the relativistic Fermi gas (RFG), the independent-particle shell model (IPSM) and the natural orbitals (NO) model with…
The electronic continuum states of InAs/GaAs semiconductor quantum dots embedded in a GaAs/AlAs superlattice are theoretically investigated and the far infrared absorption spectra are calculated for a variety of structures and…
Defect physics is at the heart of microelectronics. By keeping track of the reference energy in total energy calculations, we explicitly show that the "potential alignment" correction vanishes, and the classic Markov-Payne correction yields…
We study the spin dynamics in underdoped cuprates at low temperatures by considering them as quasi two dimensional d-wave superconductors (dSC) with strong phase fluctuations. An effective theory of spin degrees of freedom of nodal…
We test the capability of state-of-the-art lattice techniques for a precise determination of relativistic corrections to the static interquark potential, by use of SU(2) gauge theory. Emphasis is put on the short range structure of the spin…
We report the 75As nuclear quadrupole resonance (NQR) and specific heat measurements of the heavily hole-doped superconductor KFe2As2 (Tc = 3.5 K). The spin-lattice relaxation rate 1/T1 in the superconducting state exhibits quite gradual…
We formulate a new quasi-Hermitian delta-shell pseudopotential for higher partial wave scattering, and show that any such potential must have an energy-dependent regularization. The quasi-Hermiticity of the Hamiltonian leads to a complete…
The Hubbard model on a semi-infinite three-dimensional lattice is considered to investigate electron-correlation effects at single-crystal surfaces. The standard second-order perturbation theory in the interaction U is used to calculate the…
A new scheme for constructing approximate effective electron potentials within density-functional theory is proposed. The scheme consists of calculating the effective potential for a series of reference systems, and then using these…
The achievable fidelity of many nanoelectronic devices based on superconducting aluminum is limited by either the density of residual nonequilibrium quasiparticles n_qp or the density of quasiparticle states in the gap, characterized by…
A radio-frequency (rf) matching circuit with an in situ tunable varactor diode used for rf reflectometry measurements in semiconductor nanostructures is investigated and used to optimize the sample-specific chip design. The samples are…
By adding a non-linear core correction to the well established Dual Space Gaussian type pseudopotentials for the chemical elements up to the third period, we construct improved pseudopotentials for the Perdew Burke Ernzerhof (PBE)…
Due to the chiral nature of the Dirac equation, overlying of an electrical superlattice (SL) can open new Dirac points on the Fermi-surface of the energy spectrum. These lead to novel low-excitation physical phenomena. A typical example for…