Electronic and elastic properties of the tetragonal anatase TiO2 structure from first principle calculation
Xing Liu, Jia Fu
Topics & Concepts
AnataseMaterials scienceDensity functional theoryShear modulusBulk modulusBand gapTetragonal crystal systemCondensed matter physicsComposite materialChemical physicsCrystallographyComputational chemistryCrystal structureChemistryPhotocatalysisOptoelectronicsCatalysisBiochemistryPhysicsZnO doping and propertiesCopper-based nanomaterials and applicationsElectronic and Structural Properties of Oxides