Stability, and electronic and optical properties of ternary nitride phases of MgSnN2: A first-principles study
B.B. Dumre, Daniel Gall, S. V. Khare
Topics & Concepts
Band gapWurtzite crystal structureOrthorhombic crystal systemMaterials scienceTernary operationCondensed matter physicsDirect and indirect band gapsElectronic band structureElectronic structureDensity functional theoryLattice constantFermi levelChemistryCrystallographyCrystal structureComputational chemistryOptoelectronicsOpticsPhysicsDiffractionElectronProgramming languageQuantum mechanicsHexagonal crystal systemComputer scienceMetal and Thin Film MechanicsMXene and MAX Phase MaterialsMachine Learning in Materials Science