Electronic structure and the origin of the high ordering temperature in
Abstract
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:
-
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division
- Publication Date:
- Research Org.:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- 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. https://doi.org/10.1103/PhysRevB.91.214420
Singh, David J. Tue .
"Electronic structure and the origin of the high ordering temperature in SrRu2O6". United States. https://doi.org/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 = {Tue Jun 16 00:00:00 EDT 2015},
month = {Tue Jun 16 00:00:00 EDT 2015}
}
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Works referencing / citing this record:
AgRuO 3 , a Strongly Exchange-Coupled Honeycomb Compound Lacking Long-Range Magnetic Order
journal, March 2017
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Spin waves and spin-state transitions in a ruthenate high-temperature antiferromagnet
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Localized-itinerant dichotomy and unconventional magnetism in SrRu2O6
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Spin waves and spin-state transitions in a ruthenate high-temperature antiferromagnet
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