Ti–S antibonding coupling enables enhanced bandgap tuning in Ti-substituted BaHfS3 perovskite
Sen Kong, Haoxi Dong, Zhonghai Yu, Jiale Guo, Kaiyan Cao, Kaiyun Chen, Xiaoqin Ke, Chao Zhou, Junkai Deng, Sen Yang, Yin Zhang
Topics & Concepts
Materials scienceBand gapChalcogenidePerovskite (structure)CrystallinityOptoelectronicsAntibonding molecular orbitalCrystallographyComposite materialAtomic orbitalPhysicsChemistryElectronQuantum mechanicsPerovskite Materials and Applications2D Materials and ApplicationsChalcogenide Semiconductor Thin Films