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Title: Strain-induced topological transition in SrRu 2O 6 and CaOs 2O 6

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]
  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:
Grant/Contract Number:
AC05-00OR22725
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)
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)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
OSTI Identifier:
1254797
Alternate Identifier(s):
OSTI ID: 1254345

Ochi, Masayuki, Arita, Ryotaro, Trivedi, Nandini, and Okamoto, Satoshi. Strain-induced topological transition in SrRu2O6 and CaOs2O6. United States: N. p., Web. doi:10.1103/PhysRevB.93.195149.
Ochi, Masayuki, Arita, Ryotaro, Trivedi, Nandini, & Okamoto, Satoshi. Strain-induced topological transition in SrRu2O6 and CaOs2O6. United States. doi:10.1103/PhysRevB.93.195149.
Ochi, Masayuki, Arita, Ryotaro, Trivedi, Nandini, and Okamoto, Satoshi. 2016. "Strain-induced topological transition in SrRu2O6 and CaOs2O6". United States. doi:10.1103/PhysRevB.93.195149. https://www.osti.gov/servlets/purl/1254797.
@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 = {2016},
month = {5}
}