DFT simulation to study the physical properties of ternary intermetallic materials ACuSb (A=Ca, Sr, Ba) for solar cell and TBC materials
Azizun Nesa Rima, Md. Atikur Rahman, Rejuana Ferdous, Md. Nadim Mahamud Nobin, Md. Ferdous Rahman
Topics & Concepts
Materials scienceTernary operationDebye modelLattice constantThermodynamicsIonic bondingMAX phasesPseudopotentialElectronic structureComputational chemistryChemistryCondensed matter physicsComposite materialIonDiffractionCarbideOrganic chemistryOpticsPhysicsProgramming languageComputer scienceIntermetallics and Advanced Alloy PropertiesHigh-Temperature Coating BehaviorsAdvanced materials and composites