First-principles investigation of structural stability, electronic and optical properties of suboxide (Zr3O)
Yong Pan
Topics & Concepts
Materials scienceElectronic structureCondensed matter physicsHexagonal phasePerovskite (structure)Electronic band structureGround stateFermi levelChemical physicsHexagonal crystal systemCrystallographyChemistryElectronAtomic physicsPhysicsQuantum mechanicsMXene and MAX Phase MaterialsThermal Expansion and Ionic ConductivityInorganic Chemistry and Materials