Using the combination of density functional theory and many-body perturbation theory, we
comprehensively investigate the electronic and optical properties of monolayer and bilayer …

In this work, a novel structure based on hydrogenation of group-IV and V has been
proposed. The hydrogen atom bonds to either of two elements at buckled hexagonal IV–V …

Inspired by the exceptional charge transport properties and ultra-low thermal conductivity of
halide perovskite, we investigate the electronic nature, thermal transport, and thermoelectric …

Composite materials such as metal glasses or alloys combine the useful properties and
compensate for the shortcomings of the constituent materials. Therefore, a composite …

This paper studies the structural, mechanical, optical, and electronic characteristics of
monolayer and bilayer ABC 3 (Adouble bondGa, In; Bdouble bondSi, Ge; Cdouble bondS …

The fascinating realm of strain engineering and wetting transitions in two-dimensional (2D)
materials takes place when placed on a two-dimensional array of nanopillars or one …

In this work, the electronic and spin characteristics of Janus In2X2Y and In2XYZ (X, Y, and
Z= S, Se, Te) monolayers are explored. The two sides of these Janus compounds have …

The spin–orbit coupling (SOC) correction associated to the electronic and spin properties of
IV–V binary monolayers using deep transfer learning model is estimated. The accuracy of …

The rise of straintronics—the possibility of fine-tuning the electronic properties of
nanosystems by applying strain to them—has enhanced the interest in characterizing the …

The electrical characteristics of a double-gate field-effect transistor (DGFET) based on the
MA2N4 family of 2-D monolayers as channel materials are studied. The materials' key …