Insight into the physical properties of beryllium-based ternary centro-symmetric fluoroperovskites BeXF3 (X = Bi, Y, Al, Sc, and In) compounds using the first-principle approach
Mudasser Husain, Muhammad Sajjad, Nourreddine Sfina, Nasir Rahman, Vineet Tirth, Ahmed Azzouz‐Rached, Muhammad Yaqoob Khan
Topics & Concepts
Ternary operationMaterials scienceIonic bondingDensity functional theoryThermoelectric effectWIEN2kContext (archaeology)PhononBand gapElectronic band structureCondensed matter physicsElectronic structureBulk modulusThermodynamicsPhysicsComputational chemistryChemistryLocal-density approximationIonOptoelectronicsQuantum mechanicsComputer scienceComposite materialBiologyPaleontologyProgramming languageHeusler alloys: electronic and magnetic propertiesPerovskite Materials and ApplicationsThermal Expansion and Ionic Conductivity