Electronic structure of : Is it a topological insulator or not?
Abstract
Here, to finally resolve the controversial issue of whether or not the electronic structure of YbB6 is nontrivially topological, we have made a combined study using angle-resolved photoemission spectroscopy (ARPES) of the nonpolar (110) surface and density functional theory (DFT). The flat-band conditions of the (110) ARPES avoid the strong band bending effects of the polar (001) surface and definitively show that YbB6 has a topologically trivial B 2p–Yb 5d semiconductor band gap of ~0.3 eV. Accurate determination of the low energy band topology in DFT requires the use of a modified Becke-Johnson exchange potential incorporating spin-orbit coupling and an on-site Yb 4f Coulomb interaction U as large as 7 eV. The DFT result, confirmed by a more precise GW band calculation, is similar to that of a small gap non-Kondo nontopological semiconductor. Additionally, the pressure-dependent electronic structure of YbB6 is investigated theoretically and found to transform into a p–d overlap semimetal with small Yb mixed valency.
- Authors:
-
- Pohang Univ. of Science and Technology, (POSTECH) Pohang (Korea)
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
- Univ. of Michigan, Ann Arbor, MI (United States)
- Univ. Wurzburg, Wurzburg (Germany)
- GIST, Gwangju (Korea)
- The Catholic Univ. of Korea, Bucheon (Korea)
- Publication Date:
- Research Org.:
- Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- Advanced Light Source Division; USDOE
- OSTI Identifier:
- 1332328
- Alternate Identifier(s):
- OSTI ID: 1242327
- Report Number(s):
- LBNL-1004709
Journal ID: ISSN 0031-9007; PRLTAO; ir:1004709
- Grant/Contract Number:
- AC02-05CH11231; KR 2011-0031558; KSC-2015-C3-007
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review Letters
- Additional Journal Information:
- Journal Volume: 116; Journal Issue: 11; Journal ID: ISSN 0031-9007
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ALS Beamline 4.0.3
Citation Formats
Kang, Chang -Jong, Denlinger, J. D., Allen, J. W., Min, Chul -Hee, Reinert, F., Kang, B. Y., Cho, B. K., Kang, J. -S., Shim, J. H., and Min, B. I. Electronic structure of YbB6: Is it a topological insulator or not?. United States: N. p., 2016.
Web. doi:10.1103/PhysRevLett.116.116401.
Kang, Chang -Jong, Denlinger, J. D., Allen, J. W., Min, Chul -Hee, Reinert, F., Kang, B. Y., Cho, B. K., Kang, J. -S., Shim, J. H., & Min, B. I. Electronic structure of YbB6: Is it a topological insulator or not?. United States. https://doi.org/10.1103/PhysRevLett.116.116401
Kang, Chang -Jong, Denlinger, J. D., Allen, J. W., Min, Chul -Hee, Reinert, F., Kang, B. Y., Cho, B. K., Kang, J. -S., Shim, J. H., and Min, B. I. Thu .
"Electronic structure of YbB6: Is it a topological insulator or not?". United States. https://doi.org/10.1103/PhysRevLett.116.116401. https://www.osti.gov/servlets/purl/1332328.
@article{osti_1332328,
title = {Electronic structure of YbB6: Is it a topological insulator or not?},
author = {Kang, Chang -Jong and Denlinger, J. D. and Allen, J. W. and Min, Chul -Hee and Reinert, F. and Kang, B. Y. and Cho, B. K. and Kang, J. -S. and Shim, J. H. and Min, B. I.},
abstractNote = {Here, to finally resolve the controversial issue of whether or not the electronic structure of YbB6 is nontrivially topological, we have made a combined study using angle-resolved photoemission spectroscopy (ARPES) of the nonpolar (110) surface and density functional theory (DFT). The flat-band conditions of the (110) ARPES avoid the strong band bending effects of the polar (001) surface and definitively show that YbB6 has a topologically trivial B 2p–Yb 5d semiconductor band gap of ~0.3 eV. Accurate determination of the low energy band topology in DFT requires the use of a modified Becke-Johnson exchange potential incorporating spin-orbit coupling and an on-site Yb 4f Coulomb interaction U as large as 7 eV. The DFT result, confirmed by a more precise GW band calculation, is similar to that of a small gap non-Kondo nontopological semiconductor. Additionally, the pressure-dependent electronic structure of YbB6 is investigated theoretically and found to transform into a p–d overlap semimetal with small Yb mixed valency.},
doi = {10.1103/PhysRevLett.116.116401},
journal = {Physical Review Letters},
number = 11,
volume = 116,
place = {United States},
year = {Thu Mar 17 00:00:00 EDT 2016},
month = {Thu Mar 17 00:00:00 EDT 2016}
}
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