Insight into structural, electronic, optical and elastic properties of double perovskites Rb2XCrCl6 (X= K, Na) via DFT study
Abdullah Abdullah, Naimat Ullah Khan, Umar Ayaz Khan, Abid Zaman, Ali Algahtani, Jehan Y. Al‐Humaidi, Vineet Tirth, Amnah Mohammed Alsuhaibani, Tawfiq Al‐Mughanam, Moamen S. Refat, Asad Ali
Topics & Concepts
WIEN2kDensity functional theoryIsotropyMaterials scienceSemiconductorStructural stabilityElectronic band structureWork (physics)ChemistryCondensed matter physicsOptoelectronicsOpticsComputational chemistryThermodynamicsLocal-density approximationPhysicsStructural engineeringEngineeringPerovskite Materials and ApplicationsHeusler alloys: electronic and magnetic propertiesSolid-state spectroscopy and crystallography