Effects of S substitution on the structural, optoelectronic, and thermomechanical properties of KTaO3 through density functional theory

Hosneara Akter, M. M. Hossain, M. M. Uddin, S. H. Naqib, M. A. Ali

2024Journal of Physics and Chemistry of Solids33 citationsDOI

Topics & Concepts

Substitution (logic)Density functional theoryMaterials scienceCondensed matter physicsComposite materialChemistryCrystallographyComputational chemistryPhysicsComputer scienceProgramming languageElectronic and Structural Properties of OxidesNuclear materials and radiation effectsThermal Expansion and Ionic Conductivity