Structural phase transition, electronic and mechanical properties of NaVO3: a density functional theory study
L. Celestine, R. Zosiamliana, S. Gurung, Saurabh Bhandari, Ananya Banik, Dibya Prakash Rai
Topics & Concepts
Density functional theoryPhase transitionMaterials sciencePhase (matter)Condensed matter physicsChemical physicsComputational chemistryChemistryPhysicsQuantum mechanicsPerovskite Materials and ApplicationsGas Sensing Nanomaterials and SensorsSolid-state spectroscopy and crystallography