激发态
共振非弹性X射线散射
多重态
原子物理学
八面体
散射
非弹性中子散射
钴
化学
非弹性散射
基态
自旋(空气动力学)
谱线
自旋态
结晶学
物理
晶体结构
无机化学
光学
热力学
天文
作者
Ru‐Pan Wang,Meng-Jie Huang,Atsushi Hariki,J. Okamoto,H. Y. Huang,Amol Kumar Singh,D. J. Huang,Peter Nagel,S. Schuppler,Ties Haarman,Boyang Liu,Frank M. F. de Groot
标识
DOI:10.1021/acs.jpcc.2c01521
摘要
High Resolution Image Download MS PowerPoint Slide We present the cobalt 2p3d resonant inelastic X-ray scattering (RIXS) spectra of Co 3 O 4 . Guided by multiplet simulation, the excited states at 0.5 and 1.3 eV can be identified as the 4 T 2 excited state of the tetrahedral Co 2+ and the 3 T 2 g excited state of the octahedral Co 3+, respectively. The ground states of Co 2+ and Co 3+ sites are determined to be high-spin 4 A 2 ( T d ) and low-spin 1 A 1 g ( O h ), respectively. It indicates that the high-spin Co 2+ is the magnetically active site in Co 3 O 4 . Additionally, the ligand-to-metal charge transfer analysis shows strong orbital hybridization between the cobalt and oxygen ions at the Co 3+ site, while the hybridization is weak at the Co 2+ site.
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