A DFT study to investigate structural, electronic, optical, mechanical and magnetic properties of NaGeBr3 for photovoltaic and optoelectronic applications
Jalil Ur Rehman, Muhammad Awais Rehman, Muhammad Usman, Muhammad Bilal Tahir, Abid Hussain, Muhammad Zulfiqar, MeshalAlzaid, Arshid Mahmood Ali, Khurram Shahzad
Topics & Concepts
CASTEPBand gapMaterials scienceWIEN2kDirect and indirect band gapsOptoelectronicsElectronicsDensity functional theoryElectronic structureCondensed matter physicsLocal-density approximationComputational chemistryChemistryPhysicsPhysical chemistryPerovskite Materials and ApplicationsHeusler alloys: electronic and magnetic propertiesChalcogenide Semiconductor Thin Films