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.

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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
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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

A. V. Pronin, Alexander A. Tsirlin, Yohei Saito, Martin Dressel et al.
Physical review. B./Physical review. B
Topological Materials and Phenomena
article

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

A. V. Pronin, Alexander A. Tsirlin, Yohei Saito, Martin Dressel, Ece Uykur, Motoharu Imai, Lucky Zaehir Maulana
article en

Abstract

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.

Physical review. B./Physical review. BVol. 112(15)
University of Stuttgart (DE), Universitas Jambi (ID), National Institute for Materials Science (JP), Helmholtz-Zentrum Dresden-Rossendorf (DE), Leipzig University (DE)
Openalex Percentile: Top 76%
Topological Materials and Phenomena
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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 — A. V. Pronin, Alexander A. Tsirlin, et al. · Physical review. B./Physical review. B (2025) | TGRS Research Map | TGRS