Structural, electronic, elastic, vibrational and thermodynamic properties of antiperovskites Mg3NX (X = Ge, Sn): A DFT study
Debidatta Behera, Aparna Dixit, Binayaka Nahak, Anshuman Srivastava, Shubha Dubey, Ramesh Sharma, Abhishek Kumar Mishra, Sanat Kumar Mukherjee
Topics & Concepts
AntiperovskiteDensity functional theoryBulk modulusThermodynamicsElectronic structurePhysicsWork (physics)Condensed matter physicsMaterials scienceNanotechnologyQuantum mechanicsLayer (electronics)NitrideThermal Expansion and Ionic ConductivityHeusler alloys: electronic and magnetic propertiesFerroelectric and Piezoelectric Materials