The structural and optoelectronic properties of Cs-based fluoroperovskites CsMF 3 (M= Ge,
Sn or Pb) were studied using the generalized gradient approximation of Perdew-burke …

In this paper, the structural, electronic and optical properties of inorganic fluoroperovskites
CsMF 3 (M= Si or Ge) are investigated by using the density functional theory calculations …

In the frame of density functional theory (DFT), structural, thermoelectric, electronic, and
optical features of cubic X 2 ScAgCl 6 (X​=​ K, Na) double perovskite are studied. The …

Ferromagnetic semiconductors or half metals offer strategic advantage in spintronic
applications due to their robust stray fields and ultrafast magnetic dynamics. Controlling their …

The optical, band structure (BS) and thermoelectric (TE) characteristics of of cubic BaZrO 3
perovskite are examined under a pressure range of 0− 21 GPa, through Perdew-Burke …

In the present work, the optical, electronic and thermoelectric (TE) characteristics of NaTaO 3
are investigated with implementation of pressure ranging 0 to 140 GPa. The calculations …

Recently, transition metal doped superlattice has shown an anomalous optical band gap of
1.6 eV, about 1 eV lower than either parent element (Barium) majorly, making it appropriate …

Dilute magnetic semiconductors (DMS) have been widely studied in the recent two decades
due to their various application, including spintronics, spin FET and nano size integrated …

Herein, the optoelectronic, structural, thermoelectric, and elastic features of halide double
perovskites (HDPs) Cs2XInCl6 (X= Ag, Na) are examined by using full‐potential linearized …

We utilized a first-principle density functional theory for a comprehensive analysis of
CsPbX3 (X= F, Cl, Br, I) to explore its physical and chemical properties, including its …