An extensive investigation of structural, electronic, optical, magnetic, and mechanical properties of YGaO3 for photovoltaic and optoelectronic applications: First-principles approach
Sania Ayub, Areeba Siddique, Adnan Khalil, Rahila Shaheen, Muhammad Bilal Tahir, Siwar Ben Hadj Hassine, Zaka Ullah, Abdul Hannan
Topics & Concepts
Materials scienceBand gapCASTEPPerovskite (structure)AntiferromagnetismOptoelectronicsDensity functional theoryStructural stabilityCondensed matter physicsDirect and indirect band gapsPhononElectronic band structureChemistryComputational chemistryPhysicsCrystallographyEngineeringStructural engineeringPerovskite Materials and ApplicationsHeusler alloys: electronic and magnetic propertiesChalcogenide Semiconductor Thin Films