Orbital Hall effect in transition metals from first-principles scattering calculations
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arXiv
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| Format: | Preprint |
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2024
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| _version_ | 1866910866069258240 |
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| author | Rang, Max Kelly, Paul J. |
| author_facet | Rang, Max Kelly, Paul J. |
| contents | We use first-principles scattering calculations based upon wave-function matching and implemented with a tight-binding MTO basis to evaluate the orbital Hall conductivity $σ_{\rm oH}$ for Ti, V, Cr, Cu and Pt metals with temperature-induced lattice disorder. Only interatomic fluxes of orbital angular momentum are included in these estimates; intraatomic fluxes which do not contribute to the transfer of angular momentum are explicitly excluded. The resistivity and orbital Hall angle are both found to be linear in temperature so $σ_{\rm oH}$ is at most weakly temperature dependent. The value of $σ_{\rm oH}$ we obtain for bulk Cr is $ \approx 2 \times 10^3 (\hbar/e) \, (Ω\, {\rm cm})^{-1}$ which is substantially lower than previously obtained theoretical results but agrees well with experiment. In units of $10^3 (\hbar/e) (Ω\, {\rm cm})^{-1}$, the values obtained for Ti, V and Pt are $5$, $6$ and $7$, respectively. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2409_20526 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Orbital Hall effect in transition metals from first-principles scattering calculations Rang, Max Kelly, Paul J. Materials Science Mesoscale and Nanoscale Physics We use first-principles scattering calculations based upon wave-function matching and implemented with a tight-binding MTO basis to evaluate the orbital Hall conductivity $σ_{\rm oH}$ for Ti, V, Cr, Cu and Pt metals with temperature-induced lattice disorder. Only interatomic fluxes of orbital angular momentum are included in these estimates; intraatomic fluxes which do not contribute to the transfer of angular momentum are explicitly excluded. The resistivity and orbital Hall angle are both found to be linear in temperature so $σ_{\rm oH}$ is at most weakly temperature dependent. The value of $σ_{\rm oH}$ we obtain for bulk Cr is $ \approx 2 \times 10^3 (\hbar/e) \, (Ω\, {\rm cm})^{-1}$ which is substantially lower than previously obtained theoretical results but agrees well with experiment. In units of $10^3 (\hbar/e) (Ω\, {\rm cm})^{-1}$, the values obtained for Ti, V and Pt are $5$, $6$ and $7$, respectively. |
| title | Orbital Hall effect in transition metals from first-principles scattering calculations |
| topic | Materials Science Mesoscale and Nanoscale Physics |
| url | https://arxiv.org/abs/2409.20526 |