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Title: B a 2 NiOs O 6 : A Dirac-Mott insulator with ferromagnetism near 100 K

Abstract

In this study, the ferromagnetic semiconductor Ba 2NiOsO 6 ( T mag ~ 100 K ) was synthesized at 6 GPa and 1500 °C. It crystallizes into a double perovskite structure [Fm - 3m ; a = 8.0428 ( 1 ) Å], where the Ni 2+ and Os 6+ ions are perfectly ordered at the perovskite B site. We show that the spin-orbit coupling of Os 6+ plays an essential role in opening the charge gap. The magnetic state was investigated by density functional theory calculations and powder neutron diffraction. The latter revealed a collinear ferromagnetic order in a > 21 kOe magnetic field at 5 K. The ferromagnetic gapped state is fundamentally different from that of known dilute magnetic semiconductors such as (Ga,Mn)As and (Cd,Mn)Te ( T mag < 180 K ), the spin-gapless semiconductor Mn 2 CoAl ( T mag ~ 720 K ), and the ferromagnetic insulators EuO ( T mag ~ 70 K ) and Bi 3Cr 3O 11 ( T mag ~ 220 K ). It is also qualitatively different from known ferrimagnetic insulators and semiconductors, which are characterized by an antiparallel spin arrangement. Our finding of the ferromagnetic semiconductivity of Ba 2NiOsO 6 shouldmore » increase interest in the platinum group oxides, because this alternative class of materials should be useful in the development of spintronic, quantum magnetic, and related devices.« less

Authors:
 [1];  [2];  [3];  [4];  [5];  [6];  [7];  [8];  [8];  [8];  [9];  [10];  [4];  [11];  [11];  [12];  [4]
  1. National Inst. for Materials Science (NIMS), Tsukuba (Japan). Research Center for Functional Materials; Max Planck Institute for Chemical Physics of Solids, Dresden (Germany)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Quantum Condensed Matter Division
  3. Leibniz Institute for Solid State and Materials Research, Dresden (Germany); Condensed Matter Physics Research Center (Nepal)
  4. National Inst. for Materials Science (NIMS), Tsukuba (Japan). Research Center for Functional Materials; ; Hokkaido University (Japan). Graduate School of Chemical Sciences and Engineering
  5. Gakushuin University, Tokyo (Japan). Department of Chemistry
  6. National Inst. for Materials Science (NIMS), Tsukuba (Japan)
  7. National Inst. for Materials Science (NIMS), Tsukuba (Japan). Materials Analysis Station
  8. Max Planck Institute for Chemical Physics of Solids, Dresden (Germany)
  9. National Synchrotron Radiation Research Center, Hsinchu (Taiwan)
  10. National Synchrotron Radiation Research Center, Hsinchu (Taiwan); National Tsing Hua University, Hsinchu (Taiwan). Department of Physics
  11. National Institute for Materials Science (Japan). Synchrotron X-ray Station at SPring-8
  12. Leibniz Institute for Solid State and Materials Research, Dresden (Germany); Dresden Center for Computational Materials Science (Germany)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). High Flux Isotope Reactor (HFIR)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1338555
Alternate Identifier(s):
OSTI ID: 1338089
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 94; Journal Issue: 23; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Feng, Hai L., Calder, Stuart, Ghimire, Madhav Prasad, Yuan, Ya-Hua, Shirako, Yuichi, Tsujimoto, Yoshihiro, Matsushita, Yoshitaka, Hu, Zhiwei, Kuo, Chang-Yang, Tjeng, Liu Hao, Pi, Tun-Wen, Soo, Yun-Liang, He, Jianfeng, Tanaka, Masahiko, Katsuya, Yoshio, Richter, Manuel, and Yamaura, Kazunari. Ba2NiOsO6 : A Dirac-Mott insulator with ferromagnetism near 100 K. United States: N. p., 2016. Web. doi:10.1103/PhysRevB.94.235158.
Feng, Hai L., Calder, Stuart, Ghimire, Madhav Prasad, Yuan, Ya-Hua, Shirako, Yuichi, Tsujimoto, Yoshihiro, Matsushita, Yoshitaka, Hu, Zhiwei, Kuo, Chang-Yang, Tjeng, Liu Hao, Pi, Tun-Wen, Soo, Yun-Liang, He, Jianfeng, Tanaka, Masahiko, Katsuya, Yoshio, Richter, Manuel, & Yamaura, Kazunari. Ba2NiOsO6 : A Dirac-Mott insulator with ferromagnetism near 100 K. United States. doi:10.1103/PhysRevB.94.235158.
Feng, Hai L., Calder, Stuart, Ghimire, Madhav Prasad, Yuan, Ya-Hua, Shirako, Yuichi, Tsujimoto, Yoshihiro, Matsushita, Yoshitaka, Hu, Zhiwei, Kuo, Chang-Yang, Tjeng, Liu Hao, Pi, Tun-Wen, Soo, Yun-Liang, He, Jianfeng, Tanaka, Masahiko, Katsuya, Yoshio, Richter, Manuel, and Yamaura, Kazunari. Wed . "Ba2NiOsO6 : A Dirac-Mott insulator with ferromagnetism near 100 K". United States. doi:10.1103/PhysRevB.94.235158. https://www.osti.gov/servlets/purl/1338555.
@article{osti_1338555,
title = {Ba2NiOsO6 : A Dirac-Mott insulator with ferromagnetism near 100 K},
author = {Feng, Hai L. and Calder, Stuart and Ghimire, Madhav Prasad and Yuan, Ya-Hua and Shirako, Yuichi and Tsujimoto, Yoshihiro and Matsushita, Yoshitaka and Hu, Zhiwei and Kuo, Chang-Yang and Tjeng, Liu Hao and Pi, Tun-Wen and Soo, Yun-Liang and He, Jianfeng and Tanaka, Masahiko and Katsuya, Yoshio and Richter, Manuel and Yamaura, Kazunari},
abstractNote = {In this study, the ferromagnetic semiconductor Ba2NiOsO6 ( Tmag ~ 100 K ) was synthesized at 6 GPa and 1500 °C. It crystallizes into a double perovskite structure [Fm - 3m ; a = 8.0428 ( 1 ) Å], where the Ni2+ and Os6+ ions are perfectly ordered at the perovskite B site. We show that the spin-orbit coupling of Os6+ plays an essential role in opening the charge gap. The magnetic state was investigated by density functional theory calculations and powder neutron diffraction. The latter revealed a collinear ferromagnetic order in a > 21 kOe magnetic field at 5 K. The ferromagnetic gapped state is fundamentally different from that of known dilute magnetic semiconductors such as (Ga,Mn)As and (Cd,Mn)Te ( Tmag < 180 K ), the spin-gapless semiconductor Mn2 CoAl ( Tmag ~ 720 K ), and the ferromagnetic insulators EuO ( Tmag ~ 70 K ) and Bi3Cr3O11 ( Tmag ~ 220 K ). It is also qualitatively different from known ferrimagnetic insulators and semiconductors, which are characterized by an antiparallel spin arrangement. Our finding of the ferromagnetic semiconductivity of Ba2NiOsO6 should increase interest in the platinum group oxides, because this alternative class of materials should be useful in the development of spintronic, quantum magnetic, and related devices.},
doi = {10.1103/PhysRevB.94.235158},
journal = {Physical Review B},
number = 23,
volume = 94,
place = {United States},
year = {Wed Dec 28 00:00:00 EST 2016},
month = {Wed Dec 28 00:00:00 EST 2016}
}

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Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865