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| Format: | Preprint |
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2025
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| Online-Zugang: | https://arxiv.org/abs/2509.10192 |
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| _version_ | 1866916947445153792 |
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| author | Gupta, Raveena Abreu, Joao Verstraete, Matthieu J. |
| author_facet | Gupta, Raveena Abreu, Joao Verstraete, Matthieu J. |
| contents | We perform a first-principles investigation of electron-phonon interactions in silicon and germanium, uncovering distinct non-polaronic spectral and transport fingerprints in these archetypal covalent semiconductors. Using many-body perturbation theory with the retarded cumulant expansion, we compute quasiparticle energies, lifetimes, and phonon satellites beyond the Dyson-Migdal approximation. Short-range crystal fields dominate coupling in both materials, yet their low-temperature spectral fingerprints differ: Si exhibits well-resolved satellites at both band edges, whereas Ge displays strong sidebands mainly at the valence band maximum (VBM) and much weaker features at the conduction band minimum (CBM). Phonon-induced satellites in both materials broaden and merge with the quasiparticle peak at elevated temperatures. Doping broadens peaks and compresses satellite-quasiparticle separation, with n-type carriers affecting the CBM and p-type the VBM. Mobility calculations, combining cumulant-derived phonon scattering with experimentally motivated ionized-impurity scattering models, reproduce measured trends and reveal Ge's consistently higher mobilities than Si, stemming from lighter effective masses and weaker coupling. These results link band-edge asymmetries and phonon energetics to measurable transport differences, providing a unified framework for predicting mobility in nonpolar semiconductors. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2509_10192 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Spectroscopy and transport of nonpolarons in silicon and germanium: the influence of doping and temperature Gupta, Raveena Abreu, Joao Verstraete, Matthieu J. Materials Science We perform a first-principles investigation of electron-phonon interactions in silicon and germanium, uncovering distinct non-polaronic spectral and transport fingerprints in these archetypal covalent semiconductors. Using many-body perturbation theory with the retarded cumulant expansion, we compute quasiparticle energies, lifetimes, and phonon satellites beyond the Dyson-Migdal approximation. Short-range crystal fields dominate coupling in both materials, yet their low-temperature spectral fingerprints differ: Si exhibits well-resolved satellites at both band edges, whereas Ge displays strong sidebands mainly at the valence band maximum (VBM) and much weaker features at the conduction band minimum (CBM). Phonon-induced satellites in both materials broaden and merge with the quasiparticle peak at elevated temperatures. Doping broadens peaks and compresses satellite-quasiparticle separation, with n-type carriers affecting the CBM and p-type the VBM. Mobility calculations, combining cumulant-derived phonon scattering with experimentally motivated ionized-impurity scattering models, reproduce measured trends and reveal Ge's consistently higher mobilities than Si, stemming from lighter effective masses and weaker coupling. These results link band-edge asymmetries and phonon energetics to measurable transport differences, providing a unified framework for predicting mobility in nonpolar semiconductors. |
| title | Spectroscopy and transport of nonpolarons in silicon and germanium: the influence of doping and temperature |
| topic | Materials Science |
| url | https://arxiv.org/abs/2509.10192 |