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Title: Strain-induced topological transition in SrRu2O6 and CaOs2O6

Abstract

The topological property of SrRu$$_2$$O$$_6$$ and isostructural CaOs$$_2$$O$$_6$$ under various strain conditions is investigated using density functional theory. Based on an analysis of parity eigenvalues, we anticipate that a three-dimensional strong topological insulating state should be realized when band inversion is induced at the A point in the hexagonal Brillouin zone. For SrRu$$_2$$O$$_6$$, such a transition requires rather unrealistic tuning, where only the $$c$$ axis is reduced while other structural parameters are unchanged. However, given the larger spin-orbit coupling and smaller lattice constants in CaOs$$_2$$O$$_6$$, the desired topological transition does occur under uniform compressive strain. Our study paves a way to realize a topological insulating state in a complex oxide, which has not been experimentally demonstrated so far.

Authors:
 [1];  [2];  [3];  [4]
+ Show Author Affiliations
  1. Osaka Univ. (Japan)
  2. RIKEN, Saitama (Japan)
  3. The Ohio State Univ., Columbus, OH (United States)
  4. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
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:
1254797
Alternate Identifier(s):
OSTI ID: 1254345
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 93; Journal Issue: 19; 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

Ochi, Masayuki, Arita, Ryotaro, Trivedi, Nandini, and Okamoto, Satoshi. Strain-induced topological transition in SrRu2O6 and CaOs2O6. United States: N. p., 2016. Web. doi:10.1103/PhysRevB.93.195149.
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Ochi, Masayuki, Arita, Ryotaro, Trivedi, Nandini, & Okamoto, Satoshi. Strain-induced topological transition in SrRu2O6 and CaOs2O6. United States. https://doi.org/10.1103/PhysRevB.93.195149
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Ochi, Masayuki, Arita, Ryotaro, Trivedi, Nandini, and Okamoto, Satoshi. Tue . "Strain-induced topological transition in SrRu2O6 and CaOs2O6". United States. https://doi.org/10.1103/PhysRevB.93.195149. https://www.osti.gov/servlets/purl/1254797.
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@article{osti_1254797,
title = {Strain-induced topological transition in SrRu2O6 and CaOs2O6},
author = {Ochi, Masayuki and Arita, Ryotaro and Trivedi, Nandini and Okamoto, Satoshi},
abstractNote = {The topological property of SrRu$_2$O$_6$ and isostructural CaOs$_2$O$_6$ under various strain conditions is investigated using density functional theory. Based on an analysis of parity eigenvalues, we anticipate that a three-dimensional strong topological insulating state should be realized when band inversion is induced at the A point in the hexagonal Brillouin zone. For SrRu$_2$O$_6$, such a transition requires rather unrealistic tuning, where only the $c$ axis is reduced while other structural parameters are unchanged. However, given the larger spin-orbit coupling and smaller lattice constants in CaOs$_2$O$_6$, the desired topological transition does occur under uniform compressive strain. Our study paves a way to realize a topological insulating state in a complex oxide, which has not been experimentally demonstrated so far.},
doi = {10.1103/PhysRevB.93.195149},
journal = {Physical Review B},
number = 19,
volume = 93,
place = {United States},
year = {Tue May 24 00:00:00 EDT 2016},
month = {Tue May 24 00:00:00 EDT 2016}
}
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https://doi.org/10.1103/PhysRevB.93.195149
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