Related papers: Multiband $k \cdot p$ theory for hexagonal germani…
In this work we present a comparison of multiband k.p-models, the effective bond-orbital approach, and an empirical tight-binding model to calculate the electronic structure for the example of a truncated pyramidal GaN/AlN self-assembled…
Several IV-VI semiconductor compounds made of heavy atoms, such as Pb$_{1-x}$Sn$_{x}$Te, may undergo band-inversion at the $L$ point of the Brillouin zone upon variation of their chemical composition. This inversion gives rise to…
The structural and electronic properties of zinc-blende (ZB) GaAs were calculated within the framework of plane wave density-functional theory (DFT) code JDFTx by using Becke 86 in 2D and PBE exchange correlation functionals from libXC. The…
Germanium-silicon-germanium (Ge/Si$_{x}$Ge$_{1-x}$) heterostructures have emerged as a promising platform for hole-spin quantum technologies and high-mobility electronics, where strain and quantum confinement strongly reshape the Ge valence…
Quasi-one-dimensional hole gas is achievable in a semiconductor Ge nanowire. The lowest two subband dispersions of the hole gas are just two shifted parabolic curves with an anticrossing at $k_{z}=0$. This peculiar low-energy subband…
The electronic band structure of GaTe has been calculated by numerical atomic orbitals density-functional theory, in the local density approximation. In addition, the valence-band dispersion along various directions of the GaTe Brillouin…
We derive a nonsymmetrized 8-band effective-mass Hamiltonian for quantum-dot heterostructures (QDHs) in Burt's envelope-function representation. The 8x8 radial Hamiltonian and the boundary conditions for the Schroedinger equation are…
Machine-learned multi-orbital tight-binding (MMTB) Hamiltonian models have been developed to describe the electronic characteristics of intermetallic compounds $\rm Mg_2Si, Mg_2Ge, Mg_2Sn$, and $\rm Mg_2Pb$ subject to strain. The MMTB…
We discuss the construction of low-energy tight-binding Hamiltonians for condensed matter systems with a strong coupling to the quantum electromagnetic field. Such Hamiltonians can be obtained by projecting the continuum theory on a given…
A new method for calculation of band structure has been proposed based on the Green's function theory and local sampling. Potential energy in the Hamiltonian of Schrodinger's equation is approximated with a series of sampled Dirac delta…
We calculate the electronic structures of Germanium nanowires by taking the effective-mass theory. The electron and hole states at the G-valley are studied via the eight-band k.p theory. For the [111] L-valley, we expand the envelope wave…
Strain provides a powerful knob to tailor the electronic properties of semiconductors. Simple yet accurate approximations that capture strain effects in demanding simulations of mesoscopic nanostructures are therefore highly desirable.…
Before assessing the suitability of a semiconductor for specific applications, the first question to ask is whether it possesses a direct or indirect band gap. This distinction is fundamental, as the operation of devices such as…
We report on a theoretical study of the electronic structures of freestanding nanowires made from narrow band gap semiconductors GaSb, InSb and InAs. The nanowires are described by the eight-band k.p Hamiltonians and the band structures are…
Complementary angle-resolved photoemission and bulk-sensitive k-resolved resonant inelastic x-ray scattering of divalent hexaborides reveal a >1 eV X-point gap between the valence and conduction bands, in contradiction to the band overlap…
High-quality defect-free lonsdaleite Si and Ge can now be grown on hexagonal nanowire substrates. These hexagonal phases of group-IV semiconductors have been predicted to exhibit improved electronic and optical properties for optoelectronic…
We study the electronic band structure in the K/K' valleys of the Brillouin zone of monolayer WSe2 and MoSe2 by optical reflection and photoluminescence spectroscopy on dual-gated field-effect devices. Our experiment reveals the distinct…
The direct measurement of Berry phases is still a great challenge in condensed matter systems. The bottleneck has been the ability to adiabatically drive an electron coherently across a large portion of the Brillouin zone in a solid where…
We theoretically investigate the properties of holes in a Si$_{x}$Ge$_{1-x}$/Ge/ Si$_{x}$Ge$_{1-x}$ quantum well in a perpendicular magnetic field that make them advantageous as qubits, including a large ($>$100~meV) intrinsic splitting…
Based on experimental data on the newly synthesized iron-based superconductors and the relevant band structure calculations, we propose a minimal two-band BCS-type Hamiltonian with the interband Hubbard interaction included. We illustrate…