Litcius/Paper detail

Effects of oxygen group elements on thermodynamic stability, electronic structures and optical properties of the pure and pressed BaTiO3 perovskite

S. Dahbi, N. Tahiri, O. El Bounagui, H. Ez‐Zahraouy

2022Computational Condensed Matter70 citationsDOI

Topics & Concepts

ChalcogenImpurityDopingDensity functional theoryMaterials scienceBand gapOxygenPerovskite (structure)ChemistryCrystallographyComputational chemistryOrganic chemistryOptoelectronicsPerovskite Materials and ApplicationsFerroelectric and Piezoelectric MaterialsHeusler alloys: electronic and magnetic properties