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First-principles study on the structural, electronic, elastic, optical and thermodynamic properties of double antiperovskites X6BiSbN2 (X = Mg, Ca, Sr)

Hua-Xu Gao, De‐Yuan Hu, Tian‐Yu Tang, Qi-Qi Liang, Qi Dai, Shi-Quan Wu, Yan-Lin Tang, Yan-Lin Tang

2023Journal of Physics and Chemistry of Solids27 citationsDOI

Topics & Concepts

Materials scienceBand gapSemiconductorThermoelectric effectAttenuation coefficientOptoelectronicsDebye modelAbsorption (acoustics)PhononDirect and indirect band gapsPerovskite (structure)PhotodetectorCondensed matter physicsChemistryOpticsCrystallographyThermodynamicsComposite materialPhysicsThermal Expansion and Ionic ConductivityPerovskite Materials and ApplicationsFerroelectric and Piezoelectric Materials
First-principles study on the structural, electronic, elastic, optical and thermodynamic properties of double antiperovskites X6BiSbN2 (X = Mg, Ca, Sr) | Litcius