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
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