An <i>ab initio</i> Study on the Mechanical Stability, Spin-Dependent Electronic Properties, Molecular Orbital Predictions, and Optical Features of Antiperovskite A<sub>3</sub>InN (A = Co, Ni)
A.M.M. Tanveer Karim, Md Jubair, M. Nuruzzaman, M.A.K. Zilani
Abstract
InN reflects >45% of incident electromagnetic radiations in both the visible and ultraviolet region, which is an ideal feature of coating material for avoiding solar heating.
Topics & Concepts
Condensed matter physicsDensity functional theoryFermi levelMolecular orbitalAntiperovskiteAb initioOptical conductivityMaterials scienceChemistryMolecular physicsPhysicsElectronComputational chemistryNitrideNanotechnologyLayer (electronics)Organic chemistryMoleculeQuantum mechanicsThermal Expansion and Ionic ConductivityHeusler alloys: electronic and magnetic propertiesBoron and Carbon Nanomaterials Research