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Screening the structural, dynamical, and mechanical stability, tuning band gaps, and optical properties of inorganic Cs2RbABr6 (A = Tl and Bi) double perovskites halide using DFT calculations

Mudasser Husain, Nasir Rahman, Ahmed Azzouz‐Rached, Vineet Tirth, Hamid Ullah, Muawya Elhadi, Farooq Ali, Muhammad Uzair, Afraa Alotaibi, Q. Humayun, Rashid Ahmad, Akhlaq Hussain, Jing Lü

2024Optical and Quantum Electronics21 citationsDOI

Topics & Concepts

Materials scienceBand gapBulk modulusDirect and indirect band gapsOptical conductivityDensity functional theoryWIEN2kShear modulusSemiconductorCondensed matter physicsElectronic structureOptoelectronicsComposite materialLocal-density approximationComputational chemistryPhysicsChemistryPerovskite Materials and ApplicationsHeusler alloys: electronic and magnetic propertiesSolid-state spectroscopy and crystallography
Screening the structural, dynamical, and mechanical stability, tuning band gaps, and optical properties of inorganic Cs2RbABr6 (A = Tl and Bi) double perovskites halide using DFT calculations | Litcius