Weyl semimetal phases and intrinsic spin-Hall conductivity in SbAs ordered alloys
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arXiv
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| Format: | Preprint |
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2025
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| _version_ | 1866909487971958784 |
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| author | Zubair, Muhammad Ho, Dai Q. To, Duy Quang Khalid, Shoaib Janotti, Anderson |
| author_facet | Zubair, Muhammad Ho, Dai Q. To, Duy Quang Khalid, Shoaib Janotti, Anderson |
| contents | Using density functional theory calculations we investigated possible Weyl semimetal (WSM) phases in antimony arsenide ordered alloys Sb1-xAsx (x=0, 1/6, 1/3, 1/2, 2/3, 5/6, 1). We find WSM phases for all As compositions of Sb1-xAsx with broken inversion symmetry, in contrast to Bi1-xSbx where only compositions x=1/2 and 5/6 were predicted to exhibit WSM phases. The WSM phases in Sb1-xAsx are characterized by the presence of 12 Weyl points, located within 55 meV from the Fermi level in the case of x=1/2. The robust spin-orbit coupling strength and Berry curvature in these alloys produce large spin-Hall conductivity in the range of 176-602 (hbar/e)(S/cm), comparable to that in the BiSb alloys. Finally, Sb0.5As0.5 is predicted to be almost lattice-matched to GaAs(111), with the Fermi level within the gap of the semiconductor, facilitating growth and characterization, and thus, offering promising integration with conventional semiconductors. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2502_07147 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Weyl semimetal phases and intrinsic spin-Hall conductivity in SbAs ordered alloys Zubair, Muhammad Ho, Dai Q. To, Duy Quang Khalid, Shoaib Janotti, Anderson Materials Science Using density functional theory calculations we investigated possible Weyl semimetal (WSM) phases in antimony arsenide ordered alloys Sb1-xAsx (x=0, 1/6, 1/3, 1/2, 2/3, 5/6, 1). We find WSM phases for all As compositions of Sb1-xAsx with broken inversion symmetry, in contrast to Bi1-xSbx where only compositions x=1/2 and 5/6 were predicted to exhibit WSM phases. The WSM phases in Sb1-xAsx are characterized by the presence of 12 Weyl points, located within 55 meV from the Fermi level in the case of x=1/2. The robust spin-orbit coupling strength and Berry curvature in these alloys produce large spin-Hall conductivity in the range of 176-602 (hbar/e)(S/cm), comparable to that in the BiSb alloys. Finally, Sb0.5As0.5 is predicted to be almost lattice-matched to GaAs(111), with the Fermi level within the gap of the semiconductor, facilitating growth and characterization, and thus, offering promising integration with conventional semiconductors. |
| title | Weyl semimetal phases and intrinsic spin-Hall conductivity in SbAs ordered alloys |
| topic | Materials Science |
| url | https://arxiv.org/abs/2502.07147 |