Studies on the photoelectronic properties of a manganese (Mn)-doped lead-free double perovskite
Shaoming Xue, Qiaoqian Wu, Qiu-Hong Huo, Jun Mi, ChengBo Guan, Wei‐Yan Cong, Zhenkui Zhang, Junfeng Ren, Ying‐Bo Lu
Abstract
ELF calculations and COHP analyses confirm that the Cl–Mn bonds in the Cs 2 AgInCl 6 :Mn 2+ system exhibit more ionic characteristics and stronger bond strengths, which accounts for the blue-shift of the PL peak of Mn ions from Cs 2 AgInCl 6 to Cs 2 NaBiCl 6 .
Topics & Concepts
IonPhotoluminescenceManganeseIonic bondingDopingCrystal (programming language)Valence (chemistry)Band gapChemistryElectron localization functionMaterials scienceCrystallographyElectronPhysicsOptoelectronicsComputer scienceOrganic chemistryProgramming languageQuantum mechanicsPerovskite Materials and ApplicationsSolid-state spectroscopy and crystallographyLuminescence Properties of Advanced Materials