Litcius/Paper detail

First-principles calculations to investigate variation in the bandgap of NaSrF3 Fluoro-Perovskite with external static isotropic pressure and its Impact on optical properties

Muhammad Usman, Jalil Ur Rehman, Muhammad Bilal Tahir, Abid Hussain, Muhammad Sagir, Mohammed A. Assiri, Muhammad Imran, Meshal Alzaid, Hussein Alrobei

2022Computational and Theoretical Chemistry43 citationsDOI

Topics & Concepts

CASTEPChemistryRefractive indexBand gapDensity functional theoryCondensed matter physicsHydrostatic pressureIsotropyDielectricSemiconductorElectronic band structureOptical conductivityOptoelectronicsOpticsComputational chemistryThermodynamicsMaterials sciencePhysical chemistryPhysicsHeusler alloys: electronic and magnetic propertiesCrystal Structures and PropertiesSolid-state spectroscopy and crystallography
First-principles calculations to investigate variation in the bandgap of NaSrF3 Fluoro-Perovskite with external static isotropic pressure and its Impact on optical properties | Litcius