Physics

Organic chemistry

Ternary operation

WIEN2k

Crystallography

Electronic band structure

CASTEP

Density functional theory

Perovskite (structure)

Computational chemistry

Band gap

Composite material

Debye model

Chemistry

Materials science

Direct and indirect band gaps

Programming language

Condensed matter physics

Ab initio

Computer science

Optoelectronics

Electronic structure

Local-density approximation

Bulk modulus

Materials Science in Semiconductor Processing

This work presents in detail the Ab-initio computational research work on the structural, elastic, electronic, and optical properties of Perovskite-ty…

Modeling structural, elastic, electronic and optical properties of ternary cubic barium based fluoroperovskites MBaF3 (M = Ga and In) compounds based on DFT