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When semiconducting transition metal dichalcogenides heterostructures are stacked the twist angle and lattice mismatch leads to a periodic moir\'e potential. As the angle between the layers changes, so do the electronic properties. As the…
Researchers have addressed the non-traditional power generation schemes as alternatives to the traditional fossil-fuel methods enormously since the scientific community has serious concerns about shortages of energy on our planet for future…
A method based on the particle swarm optimization (PSO) algorithm is presented to design quasi-two-dimensional (Q2D) materials. With this development, various single-layer and bi-layer materials in C, Si, Ge, Sn, and Pb were predicted. A…
The prospect of coupling a two-dimensional (2D) semiconductor heterostructure to a superconductor opens new research and technology opportunities, including fundamental problems in mesoscopic superconductivity, scalable superconducting…
Silicene, the two-dimensional allotrope of silicon, is predicted to exist in a low-buckled honeycomb lattice, characterized by semimetallic electronic bands with graphenelike energy-momentum dispersions around the Fermi level (represented…
Adding sufficient tensile strain to Ge can turn the material to a direct bandgap group IV semiconductor emitting in the mid-infrared wavelength range. However, highly strained-Ge cannot be directly grown on Si due to its large lattice…
The thermodynamics of several reactions involving atomic and molecular hydrogen with group-III acceptors is investigated. The results provide a first-principles-level account of thermally- and carrier-activated processes involving these…
The heterogeneous integration of silicon with III-V materials provides a way to overcome silicon's limited optical properties toward a broad range of photonic applications. Hybrid modes are a promising way to make heterogeneous Si/III-V…
Si/SiGe heterostructures are of high interest for high mobility transistor and qubit applications, specifically for operations below 4.2 K. In order to optimize parameters such as charge mobility, built-in strain, electrostatic disorder,…
Germanium (Ge) has emerged as a contender for scalable solid-state spin qubits. This interest stems from the numerous attractive properties of hole spin in Ge low-dimensional systems and their compatibility with the standards of silicon…
In hydrogenated amorphous silicon oxide (a-SiO:H) films, incorporation of oxygen enhances optical gap due to a large number of St-O-Si bond formation, which lies deep into valence band states. An induction effect of this Si-O on other bonds…
LaMg2H7 is a ternary wide band gap semiconductor that is a member of the hydride family. The bulk physical characteristics of the LaMg2H7 compound, including its structural, electronic band structure, elastic, thermal, and optical…
Halide perovskites are currently under intense investigation due to their potential applications in optoelectronics and solar cells. Among them several crystallize in low symmetry lattice structures like trigonal, hexagonal, orthorhombic…
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…
Hole gases in planar germanium can have high mobilities in combination with strong spin-orbit interaction and electrically tunable g-factors, and are therefore emerging as a promising platform for creating hybrid…
We investigate carrier transport in a single 22 nm-thick double-gated Si quantum well device, which has independent contacts to electrons and holes. Conductance, Hall density and Hall mobility are mapped in a broad double-gate voltage…
Recently, a new carbon 3D carbon allotrope named pentadiamond was proposed. Pentadiamond is composed of carbon atoms in mixed sp$^2$ and sp$^3$-like hybridization. In this work, we have carried out a detailed investigation of the electronic…
Insulating-metallic transition mediated by substitutional atoms is predicted in a series of two-dimensional carbon-based structures. Introducing Si atoms in selected sites of tetrahexcarbon [Carbon 137 (2018) 266] according to rational…
The recent synthesis of MoSi2N4 material, along with theoretical predictions encompassing the entire family of chemical analogs, has opened up a new array of low-dimensional materials for a diverse range of optoelectronics and photovoltaics…
The astrophysical $^{3}{\rm He}(\alpha, \gamma)^{7}{\rm Be}$ and $^{3}{\rm H}(\alpha, \gamma)^{7}{\rm Li}$ direct capture processes are studied in the framework of the two-body model with the potentials of a simple Gaussian form, which…