Structural, elastic, mechanical, and thermodynamic characteristic of NaReO3 and KReO3 perovskite oxides from first principles study
Debidatta Behera, Aparna Dixit, Karuna Kumari, Anshuman Srivastava, Ramesh Sharma, Sanat Kumar Mukherjee, R. Khenata, A. Boumaza, S. Bin‐Omran
Topics & Concepts
Debye modelPerovskite (structure)Materials scienceThermodynamicsIsotropyDensity functional theoryThermal expansionHeat capacityAnisotropyAtmospheric temperature rangeCrystallographyComputational chemistryChemistryPhysicsQuantum mechanicsHeusler alloys: electronic and magnetic propertiesPerovskite Materials and ApplicationsThermal Expansion and Ionic Conductivity