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Origin of ultra-wide IR transmission and ultra-large birefringence of mercurous halide series with one dimensional chain-like structure: An ab initio study

Rongzhen Li, Guodong Zhang, Lin Liu, Longzhen Zhang, Peng Zhang, Xiang Li, Yunqiu Hua, Xutang Tao

2020Computational Materials Science14 citationsDOI

Topics & Concepts

InfraredBirefringenceHalogenHalidevan der Waals forceChemistryAnisotropyAb initioMoleculeCrystallographyMolecular physicsOpticsInorganic chemistryOrganic chemistryAlkylPhysicsPerovskite Materials and ApplicationsCrystal Structures and Properties2D Materials and Applications
Origin of ultra-wide IR transmission and ultra-large birefringence of mercurous halide series with one dimensional chain-like structure: An ab initio study | Litcius