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First-principles study on the electronic structures and optical properties of Cs2XInCl6 (X= Ag, Na)

Muxuan Luo, Yongchao Zhao, Anqi Yang, Qin‐Fen Chen, Xiwu Zhang, Jiaolian Luo

2022Solid State Communications17 citationsDOI

Topics & Concepts

CASTEPPerovskite (structure)Density functional theoryBand gapPseudopotentialAbsorption edgeAbsorption (acoustics)Electronic structureOptoelectronicsChemistryDirect and indirect band gapsAbsorption spectroscopyMaterials scienceOpticsCondensed matter physicsComputational chemistryCrystallographyPhysicsPerovskite Materials and ApplicationsChalcogenide Semiconductor Thin FilmsSolid-state spectroscopy and crystallography
First-principles study on the electronic structures and optical properties of Cs2XInCl6 (X= Ag, Na) | Litcius