Electronic structure of zaykovite Rh$_3$Se$_4$, prediction and analysis of physical properties of related materials: Pd$_3$Se$_4$, Ir$_3$Se$_4$, and Pt$_3$Se$_4$
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arXiv
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| Format: | Preprint |
| Publié: |
2024
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| _version_ | 1866913535345295360 |
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| author | Taran, Leonid S. Eremeev, Sergey V. Streltsov, Sergey V. |
| author_facet | Taran, Leonid S. Eremeev, Sergey V. Streltsov, Sergey V. |
| contents | In this work, we explore the electronic properties and chemical bonding in the recently discovered mineral zaykovite, the first natural rhodium selenide Rh$_3$Se$_4$. We comprehensively studied the bulk electronic structure, hybridization of rhodium and selenium orbitals, and the influence of spin-orbit interaction on the electronic spectrum, as well as inspected its topological properties. Besides, we investigated the surface electronic structure of zaykovite and revealed the anisotropic Rashba-type spin splitting in the surface states. In addition, using calculations of the phonon spectra and enthalpy of formation we predicted the family of similar selenides based on other $4d$ and $5d$ transition metals such as Ir, Pd, and Pt. The structural and electronic properties of these materials are discussed. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2409_18505 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Electronic structure of zaykovite Rh$_3$Se$_4$, prediction and analysis of physical properties of related materials: Pd$_3$Se$_4$, Ir$_3$Se$_4$, and Pt$_3$Se$_4$ Taran, Leonid S. Eremeev, Sergey V. Streltsov, Sergey V. Materials Science In this work, we explore the electronic properties and chemical bonding in the recently discovered mineral zaykovite, the first natural rhodium selenide Rh$_3$Se$_4$. We comprehensively studied the bulk electronic structure, hybridization of rhodium and selenium orbitals, and the influence of spin-orbit interaction on the electronic spectrum, as well as inspected its topological properties. Besides, we investigated the surface electronic structure of zaykovite and revealed the anisotropic Rashba-type spin splitting in the surface states. In addition, using calculations of the phonon spectra and enthalpy of formation we predicted the family of similar selenides based on other $4d$ and $5d$ transition metals such as Ir, Pd, and Pt. The structural and electronic properties of these materials are discussed. |
| title | Electronic structure of zaykovite Rh$_3$Se$_4$, prediction and analysis of physical properties of related materials: Pd$_3$Se$_4$, Ir$_3$Se$_4$, and Pt$_3$Se$_4$ |
| topic | Materials Science |
| url | https://arxiv.org/abs/2409.18505 |