Prediction of crossing nodal-lines and large intrinsic spin Hall conductivity in topological Dirac semimetal Ta3As family

Abstract Topological insulators (TIs) are considered as ideal platforms for generating large spin Hall conductivity (SHC), however, the bulk carrier problem, which is unavoidable in TIs, hinders their practical applications. Recently, topological semimetals (TSMs) have been proposed to achieve large...

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Autores principales:	Wenjie Hou, Jian Liu, Xi Zuo, Jian Xu, Xueying Zhang, Desheng Liu, Mingwen Zhao, Zhen-Gang Zhu, Hong-Gang Luo, Weisheng Zhao
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Materials of engineering and construction. Mechanics of materials TA401-492 Computer software QA76.75-76.765
Acceso en línea:	https://doaj.org/article/627263834baa495c87a8c6dee22602d8
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spelling	oai:doaj.org-article:627263834baa495c87a8c6dee22602d82021-12-02T13:20:19ZPrediction of crossing nodal-lines and large intrinsic spin Hall conductivity in topological Dirac semimetal Ta3As family10.1038/s41524-021-00504-w2057-3960https://doaj.org/article/627263834baa495c87a8c6dee22602d82021-03-01T00:00:00Zhttps://doi.org/10.1038/s41524-021-00504-whttps://doaj.org/toc/2057-3960Abstract Topological insulators (TIs) are considered as ideal platforms for generating large spin Hall conductivity (SHC), however, the bulk carrier problem, which is unavoidable in TIs, hinders their practical applications. Recently, topological semimetals (TSMs) have been proposed to achieve large SHC to replace TIs. However, the ideal TSM candidates with large SHC are still lacking. In terms of first-principles calculations, we predict that Ta3As family compounds exhibit complex crossing nodal-lines (CNL) properties in absence of the spin-orbit coupling (SOC). However, they transfer to Dirac TSMs under the influence of strong SOC, and present large SHC around Fermi level in particular. Remarkably, the SHC value of Ta3Y (Y = As, Sb, Bi) is around 1500–1700 $$(\hbar /e)({\mathrm{{\Omega}}} \cdot {\mathrm{cm}})^{ - 1}$$ ( ħ / e ) ( Ω ⋅ cm ) − 1 , which is comparable to noble metal Pt and much larger than TIs, Weyl TSMs, and 4d/5d transition metals. Our work not only suggests a kind of TSM family with interesting Dirac CNL around Fermi level, but also paves the way for searching large intrinsic SHC materials in complex CNL TSM systems.Wenjie HouJian LiuXi ZuoJian XuXueying ZhangDesheng LiuMingwen ZhaoZhen-Gang ZhuHong-Gang LuoWeisheng ZhaoNature PortfolioarticleMaterials of engineering and construction. Mechanics of materialsTA401-492Computer softwareQA76.75-76.765ENnpj Computational Materials, Vol 7, Iss 1, Pp 1-5 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Materials of engineering and construction. Mechanics of materials TA401-492 Computer software QA76.75-76.765
spellingShingle	Materials of engineering and construction. Mechanics of materials TA401-492 Computer software QA76.75-76.765 Wenjie Hou Jian Liu Xi Zuo Jian Xu Xueying Zhang Desheng Liu Mingwen Zhao Zhen-Gang Zhu Hong-Gang Luo Weisheng Zhao Prediction of crossing nodal-lines and large intrinsic spin Hall conductivity in topological Dirac semimetal Ta3As family
description	Abstract Topological insulators (TIs) are considered as ideal platforms for generating large spin Hall conductivity (SHC), however, the bulk carrier problem, which is unavoidable in TIs, hinders their practical applications. Recently, topological semimetals (TSMs) have been proposed to achieve large SHC to replace TIs. However, the ideal TSM candidates with large SHC are still lacking. In terms of first-principles calculations, we predict that Ta3As family compounds exhibit complex crossing nodal-lines (CNL) properties in absence of the spin-orbit coupling (SOC). However, they transfer to Dirac TSMs under the influence of strong SOC, and present large SHC around Fermi level in particular. Remarkably, the SHC value of Ta3Y (Y = As, Sb, Bi) is around 1500–1700 $$(\hbar /e)({\mathrm{{\Omega}}} \cdot {\mathrm{cm}})^{ - 1}$$ ( ħ / e ) ( Ω ⋅ cm ) − 1 , which is comparable to noble metal Pt and much larger than TIs, Weyl TSMs, and 4d/5d transition metals. Our work not only suggests a kind of TSM family with interesting Dirac CNL around Fermi level, but also paves the way for searching large intrinsic SHC materials in complex CNL TSM systems.
format	article
author	Wenjie Hou Jian Liu Xi Zuo Jian Xu Xueying Zhang Desheng Liu Mingwen Zhao Zhen-Gang Zhu Hong-Gang Luo Weisheng Zhao
author_facet	Wenjie Hou Jian Liu Xi Zuo Jian Xu Xueying Zhang Desheng Liu Mingwen Zhao Zhen-Gang Zhu Hong-Gang Luo Weisheng Zhao
author_sort	Wenjie Hou
title	Prediction of crossing nodal-lines and large intrinsic spin Hall conductivity in topological Dirac semimetal Ta3As family
title_short	Prediction of crossing nodal-lines and large intrinsic spin Hall conductivity in topological Dirac semimetal Ta3As family
title_full	Prediction of crossing nodal-lines and large intrinsic spin Hall conductivity in topological Dirac semimetal Ta3As family
title_fullStr	Prediction of crossing nodal-lines and large intrinsic spin Hall conductivity in topological Dirac semimetal Ta3As family
title_full_unstemmed	Prediction of crossing nodal-lines and large intrinsic spin Hall conductivity in topological Dirac semimetal Ta3As family
title_sort	prediction of crossing nodal-lines and large intrinsic spin hall conductivity in topological dirac semimetal ta3as family
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/627263834baa495c87a8c6dee22602d8
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Prediction of crossing nodal-lines and large intrinsic spin Hall conductivity in topological Dirac semimetal Ta3As family

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