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| Format: | Preprint |
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2025
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| Online Access: | https://arxiv.org/abs/2503.09715 |
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| _version_ | 1866910989965852672 |
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| author | Reeves, Cian C. Cushing, Scott K. Vlcek, Vojtech |
| author_facet | Reeves, Cian C. Cushing, Scott K. Vlcek, Vojtech |
| contents | Understanding how to control changes in electronic structure and related dynamical renormalizations by external driving fields is the key for understanding ultrafast spectroscopy and applications in electronics. Here we focus on the band-gap's modulation by external electric fields and uncover the effect of band dispersion on the gap renormalization. We employ the Green's function formalism using the real-time Dyson expansion to account for dynamical correlations induced by photodoping. The many-body formalism captures the dynamics of systems with long-range interactions, carrier mobility, and variable electron and hole effective mass. We also demonstrate that mean-field simulations based on the Hartree-Fock Hamiltonian, which lacks dynamical correlations, yields a qualitatively incorrect picture of band-gap renormalization. We find the trend that increasing effective mass, thus decreasing mobility, leads to as much as a 6\% enhancement in band-gap renormalization. Further, the renormalization is strongly dependent on the degree of photodoping. As the screening induced by free electrons and holes effectively reduces any long-range and interband interactions for highly excited systems, we show that there is a specific turnover point with minimal band-gap. We further demonstrate that the optical gap renormalization follows the same trend though its magnitude is altered by the Moss-Burstein effect. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2503_09715 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | The role of effective mass and long-range interactions in the band-gap renormalization of photo-excited semiconductors Reeves, Cian C. Cushing, Scott K. Vlcek, Vojtech Materials Science Computational Physics Understanding how to control changes in electronic structure and related dynamical renormalizations by external driving fields is the key for understanding ultrafast spectroscopy and applications in electronics. Here we focus on the band-gap's modulation by external electric fields and uncover the effect of band dispersion on the gap renormalization. We employ the Green's function formalism using the real-time Dyson expansion to account for dynamical correlations induced by photodoping. The many-body formalism captures the dynamics of systems with long-range interactions, carrier mobility, and variable electron and hole effective mass. We also demonstrate that mean-field simulations based on the Hartree-Fock Hamiltonian, which lacks dynamical correlations, yields a qualitatively incorrect picture of band-gap renormalization. We find the trend that increasing effective mass, thus decreasing mobility, leads to as much as a 6\% enhancement in band-gap renormalization. Further, the renormalization is strongly dependent on the degree of photodoping. As the screening induced by free electrons and holes effectively reduces any long-range and interband interactions for highly excited systems, we show that there is a specific turnover point with minimal band-gap. We further demonstrate that the optical gap renormalization follows the same trend though its magnitude is altered by the Moss-Burstein effect. |
| title | The role of effective mass and long-range interactions in the band-gap renormalization of photo-excited semiconductors |
| topic | Materials Science Computational Physics |
| url | https://arxiv.org/abs/2503.09715 |