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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

2024Elsevier eBooks35 citationsDOI

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
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