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 …

Chalcohalide perovskite-inspired materials have attracted attention as promising
optoelectronic materials due to their small band gaps, high defect tolerance, nontoxicity, and …

Abstract ab-initio calculations are employed to determine the structural, mechanical, elastic,
electronic and thermodynamic properties of perovskite oxides XTcO 3 (X= K, Rb). From the …

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 …

Spin–orbit coupling (SOC) in conjunction with broken inversion symmetry acts as a key
ingredient for several intriguing quantum phenomena, viz., Rashba–Dresselhaus (RD) …

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 …

Hybrid organic–inorganic perovskites play a critical role in modern optoelectronic
applications, particularly as single photon sources due to their unusual bright ground state …