Related papers: Multiband $k \cdot p$ theory for hexagonal germani…
Defects in semiconductors have recently attracted renewed interest owing to their potential in novel quantum applications. Here we investigate the electronic and magnetic properties induced by 60{\deg} dislocations in Ge. Using large-scale…
We present a theoretical study of the electronic structures of freestanding nanowires made from gallium phosphide (GaP)--a III-V semiconductor with an indirect bulk bandgap. We consider [001]-oriented GaP nanowires with square and…
High harmonic generation in solids provides us compact and coherent UV sources. Our simulations illustrate abnormal harmonic yield dependence on the intensity of driving or pre-excitation pulses. A multielectron interference model is…
Using $\vec{k}$$\cdot$$\vec{p}$ theory, we derive an effective four band model describing the physics of the typical two-dimensional topological insulator (HgTe/CdTe quantum well) in the presence of out-of-plane in z-direction inversion…
The energy spectrum of the valence band in HgTe/Cd$_x$Hg$_{1-x}$Te quantum wells with a width $(8-20)$~nm has been studied experimentally by magnetotransport effects and theoretically in framework $4$-bands $kP$-method. Comparison of the…
Following recently published study of Prezhdo and coworkers (JPC Letters, 2014, 5, 4129-4133), we report a systematic investigation of how monovalent and divalent ions influence valence electronic structure of graphene. Pure density…
We provide a method for the generation of effective continuum Hamiltonians that goes beyond the well known k.p method in being equally effective in both high, and low (or no) symmetry situations. Our approach is based on a surprising exact…
The spin-Hall conductivity in spatially-homogeneous two-dimensional electron systems described by the spin-orbit Hamiltonian \hbar \Omega_p \sigma is presented as a sum of the universal part Me/8 \pi \hbar determined by the Berry phase…
The dispersion of Rashba-split heavy-hole subbands in GaAs two-dimensional hole gases (2DHGs) is difficult to access experimentally because strong heavy-hole-light-hole mixing produces non-parabolicity and breaks the usual correspondence…
With the development of quantum technology, hybrid devices that combine superconductors (S) and semiconductors (Sm) have attracted great attention due to the possibility of engineering structures that benefit from the integration of the…
The electronic properties of single-layer antimony are studied by a combination of first-principles and tight-binding methods. The band structure obtained from relativistic density functional theory is used to derive an analytic…
The simplest approach to deal with light excitations in direct-gap semiconductors is to model them as a two-band system: one conduction and one valence band. For such models, particularly simple analytical expressions are known to exist for…
Hexagonal boron nitride ($\it h$-BN) exhibits dominant $\pi$-bands near the Fermi level, similar to graphene. However, unlike graphene, where tight-binding (TB) models accurately reproduce band edges near the $K$ and $K^{\prime}$ points in…
In the purpose of expanding the family of two-dimensional materials, we predict the existence of two-dimensional octa-structure of nitrogen group elements that are composed of squares and octagons in first-principle method based on density…
Recent investigations of the magnetic properties and the discovery of superconductivity in quasi-one-dimensional triangular lattice organic charge-transfer solids have indicated the severe limitations of the effective 1/2-filled band…
Two-dimensional (2D) materials exhibit a wide range of remarkable phenomena, many of which owe their existence to the relativistic spin-orbit coupling (SOC) effects. To understand and predict properties of materials containing heavy…
The topological properties of Bloch bands are intimately tied to the structure of their electronic wavefunctions within the unit cell of a crystal. Here, we show that scanning tunneling microscopy (STM) measurements on the prototypical…
We study the dielectric function of the homogeneous semiconductor hole liquid of p-doped bulk III-V zinc-blende semiconductors within random phase approximation. The single-particle physics of the hole system is modeled by Luttinger's…
We derive the matrix elements of Coulomb interaction between states with different number of electrons and holes in a semiconductor nanocrystal within the 8-band $\mathbf{k}\cdot\mathbf{p}$ theory. These matrix elements are responsible for…
Utilizations of silicon-based luminescent devices are restricted by the indirect-gap nature of diamond silicon. In this study, the high-throughput method is employed to expedite discoveries of direct-gap silicon crystals. The machine…