Pressure-induced isostructural phase transition and charge transfer in superconducting FeSe

Yu, Zhenhai; Xu, Ming; Yan, Zhipeng; Yan, Hao; Zhao, Jinggeng; Patel, Umeshkumar; Brewe, Dale L.; Heald, Steve M.; Ma, Jingyuan; Guo, Yanfeng; Yang, Ke; Xiao, Zhili; Wang, Lin

doi:10.1016/j.jallcom.2018.07.161

Title: Pressure-induced isostructural phase transition and charge transfer in superconducting FeSe

Journal Article · Tue Jul 17 00:00:00 EDT 2018 · Journal of Alloys and Compounds

DOI:https://doi.org/10.1016/j.jallcom.2018.07.161· OSTI ID:1484745

Yu, Zhenhai ^[1]; Xu, Ming ^[2]; Yan, Zhipeng ^[3]; Yan, Hao ^[3]; Zhao, Jinggeng ^[4]; Patel, Umeshkumar ^[5]; Brewe, Dale L. ^[5]; Heald, Steve M. ^[5]; Ma, Jingyuan ^[6]; Guo, Yanfeng ^[7]; Yang, Ke ^[6];

^[5];

^[3]

Center for High Pressure Science and Technology Advanced Research, Shanghai (China); ShanghaiTech Univ., Shanghai (China)
Huazhong Univ. of Science and Technology, Wuhan (China)
Center for High Pressure Science and Technology Advanced Research, Shanghai (China)
Harbin Institute of Technology, Harbin (China)
Argonne National Lab. (ANL), Argonne, IL (United States)
Chinese Academy of Sciences, Shanghai (China)
ShanghaiTech Univ., Shanghai (China)

Here, we present extensive investigations of the crystallographic phase diagram and electronic properties of the Fe-based superconductor FeSe under extreme conditions (high pressure (HP) and low temperature (LT)) by synchrotron X-ray diffraction (XRD) and X-ray absorption spectroscopy (XAS). An isostructural phase transition (Tetragonal (T) →high-pressure Tetragonal (T')) is discovered in FeSe at ~2.8 GPa based on the axial ratio c/a with finer pressure step as observed in Fe-As-based superconductor such as EuFe₂As₂. We also find a pressure-induced T' → MnP-type phase transition at 7.6 GPa in FeSe, which is consistent with the documented pressure-induced high-spin → low-spin transition (~6–7 GPa). These results reveal the pressure-induced structural phase transition sequence in FeSe at room temperature to be T → T' → T'+MnP-type at pressures of 0–10.6 GPa, enriching the crystallographic phase diagram. The HPLT XRD data also indicate that a sluggish structural phase transition (Cmma → Pnma) begins at 7.5 GPa, and these two phases coexist up to 26.5 GPa. The HP X-ray absorption near-edge spectroscopy (XANES) measurement shows that E_o of Se experiences a pressure-induced shift to high energy, evidencing strongly charge transfer between Fe and Se under high pressure. Our results shed lights on the correlation between crystallographic/electronic structure and superconductivity in this material.

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: National Natural Science Foundation of China (NSFC); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1484745

Alternate ID(s):: OSTI ID: 1703722

Journal Information:: Journal of Alloys and Compounds, Vol. 767, Issue C; ISSN 0925-8388

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 17 works

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