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

Abstract

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 (CmmaPnma) 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 Eo 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 structuremore » and superconductivity in this material.« less

Authors:
 [1];  [2];  [3];  [3];  [4];  [5];  [5];  [5];  [6];  [7];  [6]; ORCiD logo [5]; ORCiD logo [3]
  1. Center for High Pressure Science and Technology Advanced Research, Shanghai (China); ShanghaiTech Univ., Shanghai (China)
  2. Huazhong Univ. of Science and Technology, Wuhan (China)
  3. Center for High Pressure Science and Technology Advanced Research, Shanghai (China)
  4. Harbin Institute of Technology, Harbin (China)
  5. Argonne National Lab. (ANL), Argonne, IL (United States)
  6. Chinese Academy of Sciences, Shanghai (China)
  7. ShanghaiTech Univ., Shanghai (China)
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
National Natural Science Foundation of China (NNSFC); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1484745
Alternate Identifier(s):
OSTI ID: 1703722
Grant/Contract Number:  
AC02-06CH11357; 51772113; A2017004; 17ZR1443300; U1530402
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Alloys and Compounds
Additional Journal Information:
Journal Volume: 767; Journal Issue: C; Journal ID: ISSN 0925-8388
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; Fe-based superconductor; charge transfer; high pressure; isostructural phase transition

Citation Formats

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, and Wang, Lin. Pressure-induced isostructural phase transition and charge transfer in superconducting FeSe. United States: N. p., 2018. Web. doi:10.1016/j.jallcom.2018.07.161.
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. Pressure-induced isostructural phase transition and charge transfer in superconducting FeSe. United States. https://doi.org/10.1016/j.jallcom.2018.07.161
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, and Wang, Lin. Tue . "Pressure-induced isostructural phase transition and charge transfer in superconducting FeSe". United States. https://doi.org/10.1016/j.jallcom.2018.07.161. https://www.osti.gov/servlets/purl/1484745.
@article{osti_1484745,
title = {Pressure-induced isostructural phase transition and charge transfer in superconducting FeSe},
author = {Yu, Zhenhai and Xu, Ming and Yan, Zhipeng and Yan, Hao and Zhao, Jinggeng and Patel, Umeshkumar and Brewe, Dale L. and Heald, Steve M. and Ma, Jingyuan and Guo, Yanfeng and Yang, Ke and Xiao, Zhili and Wang, Lin},
abstractNote = {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 Eo 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.},
doi = {10.1016/j.jallcom.2018.07.161},
journal = {Journal of Alloys and Compounds},
number = C,
volume = 767,
place = {United States},
year = {2018},
month = {7}
}

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