High pressure evolution of Fe$_{2}$O$_{3}$ electronic structure revealed by X-ray absorption
| Autor: | Wang, Shibing, Mao, Wendy L., Sorini, Adam P., Chen, Cheng-Chien, Devereaux, Thomas P., Ding, Yang, Xiao, Yuming, Chow, Paul, Hiraoka, Nozomu, Ishii, Hirofumi, Cai, Yong Q., Kao, Chi-Chang |
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| Rok vydání: | 2010 |
| Předmět: | |
| Zdroj: | Phys. Rev. B, 82, 144428 (2010) |
| Druh dokumentu: | Working Paper |
| DOI: | 10.1103/PhysRevB.82.144428 |
| Popis: | We report the first high pressure measurement of the Fe K-edge in hematite (Fe$_2$O$_3$) by X-ray absorption spectroscopy in partial fluorescence yield geometry. The pressure-induced evolution of the electronic structure as Fe$_2$O$_3$ transforms from a high-spin insulator to a low-spin metal is reflected in the x-ray absorption pre-edge. The crystal field splitting energy was found to increase monotonically with pressure up to 48 GPa, above which a series of phase transitions occur. Atomic multiplet, cluster diagonalization, and density-functional calculations were performed to simulate the pre-edge absorption spectra, showing good qualitative agreement with the measurements. The mechanism for the pressure-induced phase transitions of Fe$_2$O$_3$ is discussed and it is shown that ligand hybridization significantly reduces the critical high-spin/low-spin pressure. Comment: 5 pages, 4 figures and 1 table |
| Databáze: | arXiv |
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