{
  "abstract": "We present a first-principles real-time approach to study non-linear response of solids at finite temperature. Finite temperature effects are included as renormalization of the quasiparticle energies and a dephasing term proportional to the quasiparticle lifetimes. We evaluate electron-phonon matrix elements from Density-Functional Perturbation Theory for lattice dynamics and then calculate quasiparticles renormalization and lifetime from the Fan and Debye-Waller terms of the electron self-energy. Electron excitations are treated at the independent particle level of approximation. We apply the approach to the second-harmonic generation (SHG) in monolayer and trilayer MoS$_2$. We observe a nontrivial temperature-dependence of the SHG due to a strong crystal-momentum dependent quasiparticle renormalization. From the phonon-mode analysis we find that the coupling with acoustic and shear modes determines the overall crystal-momentum dependence respectively in monolayer and trilayer MoS$_2$. The nontrivial temperature-dependence of the SHG can help rationalize the increase of SHG intensity with increasing temperature observed in monolayer MoS$_2$ at a given laser energy [Adv. Optical Mater. 8, 2000441 (2020)].",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2609.07796",
  "author_total": 3,
  "authors": [
    {
      "name": "Anna Romani"
    },
    {
      "name": "Claudio Attaccalite"
    },
    {
      "name": "Myrta Grüning"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/c5zr050xnqfby.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2609.07796",
  "fulltext_url": null,
  "id": "c5zr050xnqfby",
  "issns": [],
  "landing_url": "https://hal.science/hal-05744834v1",
  "language": "en",
  "licence": "CC-BY-4.0",
  "licence_label": "CC BY 4.0",
  "licence_source": "article",
  "licence_url": "http://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": "CC0-1.0",
  "native_subjects": [
    [
      "arxiv",
      "cond-mat.mtrl-sci"
    ],
    [
      "hal",
      "0.phys"
    ],
    [
      "hal",
      "1.phys.cond"
    ],
    [
      "openalex",
      "2505|2D Materials and Applications"
    ]
  ],
  "openalex": "W7212074006",
  "pdf_url": "https://arxiv.org/pdf/2609.07796",
  "pmcid": null,
  "pmid": null,
  "published": "2026-09-07",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/c5zr050xnqfby.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:33Z",
      "native_id": "hal-05744834",
      "source": "hal",
      "url": "https://hal.science/hal-05744834v1"
    },
    {
      "first_seen": "2026-10-30T12:19:48Z",
      "native_id": "2609.07796",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2609.07796"
    }
  ],
  "subjects": [
    {
      "field": "physics",
      "origin": "arxiv:cond-mat.mtrl-sci",
      "subfield": "condensed-matter"
    }
  ],
  "title": "Temperature-Dependent nonlinear optics from first-principles: Second-Harmonic Generation in few-layers MoS$_2$",
  "title_text": "Temperature-Dependent nonlinear optics from first-principles: Second-Harmonic Generation in few-layers MoS_2",
  "type": "preprint",
  "updated_at": "2026-10-30T12:19:48Z",
  "url": "https://research.draconitic.com/paper/c5zr050xnqfby",
  "venue": "HAL",
  "versions": []
}