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Title: Anomalous behavior of the quasi-one-dimensional quantum material Na 2OsO 4 at high pressure

Abstract

Na 2OsO 4 is an unusual quantum material that, in contrast to the common 5d 2 oxides with spins = 1, owns a magnetically silent ground state with spin = 0 and a band gap at Fermi level attributed to a distortion in the OsO 6 octahedral sites. In this semiconductor, our low-temperature electrical transport measurements indicate an anomaly at 6.3 K with a power-law behavior inclining through the semiconductor-to-metal transition observed at 23 GPa. Even more peculiarly, we discover that before this transition, the material becomes more insulating instead of merely turning into a metal according to the conventional wisdom. Furthermore, to investigate the underlying mechanisms, we applied experimental and theoretical methods to examine the electronic and crystal structures comprehensively, and conclude that the enhanced insulating state at high pressure originates from the enlarged distortion of the OsO 6. It is such a distortion that widens the band gap and decreases the electron occupancy in Os’s t 2g orbital through an interplay of the lattice, charge, and orbital in the material, which is responsible for the changes observed in our experiments.

Authors:
 [1];  [2];  [3];  [3];  [4];  [5];  [5];  [6];  [7]; ORCiD logo [7];  [8];  [1];  [9]
  1. Center for High Pressure Science and Technology Advanced Research, Beijing (China)
  2. National Inst. of Materials Science, Ibaraki (Japan)
  3. Chinese Academy of Sciences (CAS), Beijing (China)
  4. Chinese Academy of Sciences (CAS), Beijing (China); Collaborative Innovation Center of Quantum Matter, Beijing (China)
  5. KAIST, Daejeon (Republic of Korea)
  6. KAIST, Daejeon (Republic of Korea); Korea Advanced Institute of Science and Technology, Daejeon (Republic of Korea)
  7. Argonne National Lab. (ANL), Argonne, IL (United States)
  8. Carnegie Inst. of Washington, Washington, DC (United States); DACTools LLC, Naperville, IL (United States)
  9. Center for High Pressure Science and Technology Advanced Research, Beijing (China); Carnegie Inst. of Washington, Washington, DC (United States)
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities Division; USDOE National Nuclear Security Administration (NNSA); National Science Foundation (NSF); National Key Research and Development Program of China
OSTI Identifier:
1496213
Alternate Identifier(s):
OSTI ID: 1637245
Grant/Contract Number:  
AC02-06CH11357; NA0001974; FG02-94ER14466; FG02-99ER45775; U1530402
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Materials Today Physics
Additional Journal Information:
Journal Volume: 8; Journal Issue: C; Journal ID: ISSN 2542-5293
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; DFT; Fermi liquid; Octahedral distortion; Resistance; XAS; XRD

Citation Formats

Sereika, Raimundas, Yamaura, K., Jia, Y., Zhang, S., Jin, C., Yoon, H., Jeong, M. Y., Han, M. J., Brewe, D. L., Heald, S. M., Sinogeikin, S., Ding, Yang, and Mao, H. -k. Anomalous behavior of the quasi-one-dimensional quantum material Na2OsO4 at high pressure. United States: N. p., 2019. Web. doi:10.1016/j.mtphys.2018.12.001.
Sereika, Raimundas, Yamaura, K., Jia, Y., Zhang, S., Jin, C., Yoon, H., Jeong, M. Y., Han, M. J., Brewe, D. L., Heald, S. M., Sinogeikin, S., Ding, Yang, & Mao, H. -k. Anomalous behavior of the quasi-one-dimensional quantum material Na2OsO4 at high pressure. United States. https://doi.org/10.1016/j.mtphys.2018.12.001
Sereika, Raimundas, Yamaura, K., Jia, Y., Zhang, S., Jin, C., Yoon, H., Jeong, M. Y., Han, M. J., Brewe, D. L., Heald, S. M., Sinogeikin, S., Ding, Yang, and Mao, H. -k. Wed . "Anomalous behavior of the quasi-one-dimensional quantum material Na2OsO4 at high pressure". United States. https://doi.org/10.1016/j.mtphys.2018.12.001. https://www.osti.gov/servlets/purl/1496213.
@article{osti_1496213,
title = {Anomalous behavior of the quasi-one-dimensional quantum material Na2OsO4 at high pressure},
author = {Sereika, Raimundas and Yamaura, K. and Jia, Y. and Zhang, S. and Jin, C. and Yoon, H. and Jeong, M. Y. and Han, M. J. and Brewe, D. L. and Heald, S. M. and Sinogeikin, S. and Ding, Yang and Mao, H. -k.},
abstractNote = {Na2OsO4 is an unusual quantum material that, in contrast to the common 5d2 oxides with spins = 1, owns a magnetically silent ground state with spin = 0 and a band gap at Fermi level attributed to a distortion in the OsO6 octahedral sites. In this semiconductor, our low-temperature electrical transport measurements indicate an anomaly at 6.3 K with a power-law behavior inclining through the semiconductor-to-metal transition observed at 23 GPa. Even more peculiarly, we discover that before this transition, the material becomes more insulating instead of merely turning into a metal according to the conventional wisdom. Furthermore, to investigate the underlying mechanisms, we applied experimental and theoretical methods to examine the electronic and crystal structures comprehensively, and conclude that the enhanced insulating state at high pressure originates from the enlarged distortion of the OsO6. It is such a distortion that widens the band gap and decreases the electron occupancy in Os’s t2g orbital through an interplay of the lattice, charge, and orbital in the material, which is responsible for the changes observed in our experiments.},
doi = {10.1016/j.mtphys.2018.12.001},
url = {https://www.osti.gov/biblio/1496213}, journal = {Materials Today Physics},
issn = {2542-5293},
number = C,
volume = 8,
place = {United States},
year = {2019},
month = {2}
}