Electronic structure of YbB6: Is it a topological insulator or not?

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.

doi:10.1103/PhysRevLett.116.116401

Electronic structure of ${YbB}_{6}$ : Is it a topological insulator or not?

Journal Article · Thu Mar 17 00:00:00 EDT 2016 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.116.116401· OSTI ID:1332328

Kang, Chang -Jong ^[1]; Denlinger, J. D. ^[2]; Allen, J. W. ^[3]; Min, Chul -Hee ^[4]; Reinert, F. ^[4]; Kang, B. Y. ^[5]; Cho, B. K. ^[5]; Kang, J. -S. ^[6]; Shim, J. H. ^[1]; Min, B. I. ^[1]

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)

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.

View Accepted Manuscript (DOE)

Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: Advanced Light Source Division; USDOE

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1332328

Alternate ID(s):: OSTI ID: 1242327

Report Number(s):: LBNL--1004709; ir:1004709

Journal Information:: Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 11 Vol. 116; ISSN 0031-9007; ISSN PRLTAO

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Topological bulk band structures of the hourglass and Dirac nodal-loop types in Ce Kondo systems: CeNiSn, CeRhAs, and CeRhSb Nam, T. -S.; Kang, Chang-Jong; Ryu, D. -C. Physical Review B, Vol. 99, Issue 12 https://doi.org/10.1103/physrevb.99.125115	journal	March 2019
Samarium hexaboride is a trivial surface conductor Hlawenka, Peter; Siemensmeyer, Konrad; Weschke, Eugen Universität Potsdam https://doi.org/10.25932/publishup-42421	text	January 2019
Additional energy scale in SmB$_6$ at low temperature Jiao, Lin; Rößler, Sahana; Kim, D. J. arXiv https://doi.org/10.48550/arxiv.1701.02949	text	January 2017

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Electronic structure of YbB6 : Is it a topological insulator or not?

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Electronic structure of ${YbB}_{6}$ : Is it a topological insulator or not?