First principles study on optical and thermal properties of BaTiS3
Saher Fatima Gillani, Nazia Yasmin, Zahid Usman, Hasan M. Khan, Muhammad Safdar, Misbah Mirza
Topics & Concepts
CASTEPDensity functional theoryMaterials scienceRefractive indexBand gapCondensed matter physicsElectronic band structureValence (chemistry)Electronic structureOptical conductivityDensity of statesPhysicsOptoelectronicsQuantum mechanicsChalcogenide Semiconductor Thin FilmsCrystal Structures and Properties2D Materials and Applications