Metal halide perovskites (MHPs) have been one of the most promising materials for the
photoelectric, electro‐optical, and all‐optical conversion devices, thanks to their excellent …

Using first-principles calculations, we report the electronic properties with a special focus on
the band splitting in the WSi2N4 class of materials. Due to the broken inversion symmetry …

Circularly polarized light emission is a crucial application in imaging, sensing, and
photonics. However, utilizing low-energy photons to excite materials, as opposed to high …

The present review is aimed to understand the Rashba and Dresselhaus effects from the first-
principle calculations. A brief overview of first-principle density functional theory (DFT) and …

A class of septuple-atomic-layer two-dimensional (2D) materials, MA2Z4, is sought as an
alternative to 2D hexagonal transition metal dichalcogenides in the fields of valleytronics …

Polar and chiral crystal symmetries confer a variety of potentially useful functionalities upon
solids by coupling otherwise noninteracting mechanical, electronic, optical, and magnetic …

The materials preserving a uniform spin configuration in the momentum space, known as
persistent spin texture (PST), provide long carrier spin lifetimes through persistent spin-helix …

We use ab initio calculations and theoretical analysis to investigate the influence of uniaxial
tensile strain on valley drifts and Berry curvatures in the monolayer MoSi 2 N 4, a …

Because of instability issues presented by metal halide perovskites based on
methylammonium (MA), its replacement to Cs has emerged as an alternative to improve the …

The present paper is primarily focused on predicting the band gaps of nitride perovskites
from machine learning (ML) models. The ML models have been framed from the feature …