Density functional theory studies of the structural, optoelectronic, bond stiffness and lattice dynamical properties of double perovskite oxides M2YVO6 (M= Mg, Sr): Promising candidates for optoelectronic applications
Muhammad Iqbal Hussain, R.M. Arif Khalil
Topics & Concepts
Density functional theoryMaterials scienceWIEN2kMonoclinic crystal systemBand gapPhononPerovskite (structure)Direct and indirect band gapsSemiconductorDensity of statesValence (chemistry)Optical conductivityCondensed matter physicsOptoelectronicsCrystal structureLocal-density approximationCrystallographyComputational chemistryChemistryPhysicsOrganic chemistryPerovskite Materials and ApplicationsCrystal Structures and PropertiesHigh-pressure geophysics and materials