Theoretical investigation on structural, electronic, optical and elastic properties of TiO2, SnO2, ZrO2 and HfO2 using SCAN meta-GGA functional: A DFT study
Julaiba Tahsina Mazumder, Rishikanta Mayengbam, S. K. Tripathy
Topics & Concepts
Materials scienceDensity functional theoryBulk modulusRefractive indexShear modulusBand gapElastic modulusMolar absorptivityElectronic band structureOptical conductivityCondensed matter physicsOpticsOptoelectronicsComputational chemistryChemistryComposite materialPhysicsPerovskite Materials and ApplicationsChalcogenide Semiconductor Thin FilmsZnO doping and properties