Theoretical insights on geometrical, mechanical, electronic, thermodynamic and photocatalytic characteristics of RaTiO3 compound: A DFT investigation
Md. Sarwar Zahan, Md. Rajib Munshi, Md. Zuel Rana, Md. Al Masud
Topics & Concepts
Density functional theoryMulliken population analysisMaterials scienceCrystal (programming language)Band gapDensity of statesRefractive indexAb initioMolecular physicsComputational chemistryCondensed matter physicsChemistryOptoelectronicsPhysicsProgramming languageComputer scienceOrganic chemistryElectronic and Structural Properties of OxidesLuminescence Properties of Advanced MaterialsAdvanced Photocatalysis Techniques