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First-principles investigation of structural stability, electronic and optical properties of suboxide (Zr3O)

Yong Pan

2022Materials Science and Engineering B83 citationsDOI

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
First-principles investigation of structural stability, electronic and optical properties of suboxide (Zr3O) | Litcius