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Title: Electronic structure and the origin of the high ordering temperature in SrRu 2 O 6

Abstract

SrRu 2 O 6 is a layered honeycomb-lattice material with an extraordinarily high magnetic ordering temperature. We investigated this material using density functional calculations. We find that the energy scales for moment formation and ordering are similar and high. Additionally, we find that the magnetic anisotropy is high and favors moments oriented along the c axis. This provides an explanation for the exceptionally high ordering temperature. Finally, the compound is found to be semiconducting at the bare density functional level, even without magnetic order. Lastly, we discuss experimental consequences of this scenario for the high ordering temperature.

Authors:
 [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1185984
Alternate Identifier(s):
OSTI ID: 1184883
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review. B, Condensed Matter and Materials Physics
Additional Journal Information:
Journal Volume: 91; Journal Issue: 21; Journal ID: ISSN 1098-0121
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Singh, David J. Electronic structure and the origin of the high ordering temperature in SrRu2O6. United States: N. p., 2015. Web. doi:10.1103/PhysRevB.91.214420.
Singh, David J. Electronic structure and the origin of the high ordering temperature in SrRu2O6. United States. doi:10.1103/PhysRevB.91.214420.
Singh, David J. Tue . "Electronic structure and the origin of the high ordering temperature in SrRu2O6". United States. doi:10.1103/PhysRevB.91.214420. https://www.osti.gov/servlets/purl/1185984.
@article{osti_1185984,
title = {Electronic structure and the origin of the high ordering temperature in SrRu2O6},
author = {Singh, David J.},
abstractNote = {SrRu2O6 is a layered honeycomb-lattice material with an extraordinarily high magnetic ordering temperature. We investigated this material using density functional calculations. We find that the energy scales for moment formation and ordering are similar and high. Additionally, we find that the magnetic anisotropy is high and favors moments oriented along the c axis. This provides an explanation for the exceptionally high ordering temperature. Finally, the compound is found to be semiconducting at the bare density functional level, even without magnetic order. Lastly, we discuss experimental consequences of this scenario for the high ordering temperature.},
doi = {10.1103/PhysRevB.91.214420},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
number = 21,
volume = 91,
place = {United States},
year = {2015},
month = {6}
}

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Cited by: 16 works
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    • DOI: 10.1002/chem.201606057

    Spin waves and spin-state transitions in a ruthenate high-temperature antiferromagnet
    journal, March 2019