Abstract
The topological property of SrRu2O6 and isostructural CaOs2O6 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 SrRu2O6, 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 CaOs2O6, 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.
| Original language | English |
|---|---|
| Article number | 195149 |
| Journal | Physical Review B |
| Volume | 93 |
| Issue number | 19 |
| DOIs | |
| State | Published - May 24 2016 |
Funding
This research was initiated at the Kavli Institute for Theoretical Physics (KITP), the University of California, Santa Barbara, where three of the authors (R.A., N.T., and S.O.) attended the program New Phases and Emergent Phenomena in Correlated Materials with Strong Spin-Orbit Coupling. R.A., N.T., and S.O. thank the KITP, which is supported in part by the National Science Foundation under Grant No. NSF PHY11-25915, for hospitality. S.O. thanks V. R. Cooper for useful discussions. This work was supported by JSPS KAKENHI Grants No. 15K17724 (M.O.) and 15H05883 (R.A.). N.T. acknowledges funding from Grant No. NSF-DMR1309461. The research by S.O. is supported by the US Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division.
| Funders | Funder number |
|---|---|
| US Department of Energy | |
| National Science Foundation | NSF PHY11-25915 |
| Kavli Institute for Theoretical Physics, University of California, Santa Barbara | |
| Office of Science | |
| Basic Energy Sciences | |
| University of California, Santa Barbara | |
| Division of Materials Sciences and Engineering | |
| Japan Society for the Promotion of Science | NSF-DMR1309461, 15H05883, 15K17724 |