Optical conductivity and band gap in the double-Weyl candidate <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>SrSi</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:math> at ambient pressure
The authors study here the possible double-Weyl state in cubic SrSi${}_{2}$ using optical spectroscopy and $a\phantom{\rule{0}{0ex}}b$ $i\phantom{\rule{0}{0ex}}n\phantom{\rule{0}{0ex}}i\phantom{\rule{0}{0ex}}t\phantom{\rule{0}{0ex}}i\phantom{\rule{0}{0ex}}o$ calculations. The free-carrier density, found from optics, decreases with decreasing temperature, consistent with an activation behavior. Experimental interband conductivity juxtaposed with $a\phantom{\rule{0}{0ex}}b$ $i\phantom{\rule{0}{0ex}}n\phantom{\rule{0}{0ex}}i\phantom{\rule{0}{0ex}}t\phantom{\rule{0}{0ex}}i\phantom{\rule{0}{0ex}}o$ calculations shows that conventional density functional theory fails to describe the electronic structure of SrSi${}_{2}$ near the Fermi level. A semilocal exchange-correlation potential allows a much better agreement with the experiment, resulting a gapped band structure of SrSi${}_{2}$ with the direct gap of 35--40 meV.
Authors
- A. V. Pronin (ORCID: https://orcid.org/0000-0003-2585-7476)
- Alexander A. Tsirlin (ORCID: https://orcid.org/0000-0001-6916-8256)
- Yohei Saito (ORCID: https://orcid.org/0000-0003-2844-7245)
- Martin Dressel (ORCID: https://orcid.org/0000-0003-1907-052X)
- Ece Uykur (ORCID: https://orcid.org/0000-0001-7253-4579)
- Motoharu Imai (ORCID: https://orcid.org/0000-0002-5848-113X)
- Lucky Zaehir Maulana (ORCID: https://orcid.org/0000-0003-3320-0298)
Institutions
- University of Stuttgart (DE)
- Universitas Jambi (ID)
- National Institute for Materials Science (JP)
- Helmholtz-Zentrum Dresden-Rossendorf (DE)
- Leipzig University (DE)
Publication Details
- Journal
- Physical review. B./Physical review. B
- Published
- 2025-10-03
- DOI
- https://doi.org/10.1103/y1gj-67wz
- Primary Topic
- Topological Materials and Phenomena
- Type
- article
- Field-Weighted Citation Impact
- 0.00