Coherent energy exchange between carriers and phonons in Peierls-distorted bismuth unveiled by broadband XUV pulses

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{
  "metadata": {
    "is_last": true, 
    "version": 1, 
    "title": "Coherent energy exchange between carriers and phonons in Peierls-distorted bismuth unveiled by broadband XUV pulses", 
    "keywords": [
      "bismuth", 
      "density-functional theory", 
      "time-dependent density-functional theory", 
      "absorption spectrum", 
      "transient reflectivity", 
      "extreme ultraviolet", 
      "photoexcitation", 
      "real-space atomic motion", 
      "density of states", 
      "SNSF", 
      "MARVEL/OSP", 
      "CSCS", 
      "Investissements d'Avenir"
    ], 
    "description": "In Peierls-distorted materials, photoexcitation leads to a strongly coupled transient response between structural and electronic degrees of freedom, always measured independently of each other. Here we use transient reflectivity in the extreme ultraviolet to quantify both responses in photoexcited bismuth in a single measurement. With the help of first-principles calculations based on density-functional theory (DFT) and time-dependent DFT, the real-space atomic motion and the temperature of both electrons and holes as a function of time are captured simultaneously, retrieving an anticorrelation between the A1g phonon dynamics and carrier temperature. The results reveal a coherent, bi-directional energy exchange between carriers and phonons, which is a dynamical counterpart of the static Peierls-Jones distortion, providing first-time validation of previous theoretical predictions.", 
    "license": "Creative Commons Attribution 4.0 International", 
    "references": [
      {
        "url": "https://arxiv.org/abs/2103.03137", 
        "comment": "Preprint where the data is discussed", 
        "citation": "Romain G\u00e9neaux, Iurii Timrov, Christopher J. Kaplan, Andrew D. Ross, Peter M. Kraus, Stephen R. Leone, arXiv:2103.03137 (2021).", 
        "type": "Preprint"
      }, 
      {
        "url": "https://journals.aps.org/prresearch/abstract/10.1103/PhysRevResearch.3.033210", 
        "type": "Journal reference", 
        "citation": "Romain G\u00e9neaux, Iurii Timrov, Christopher J. Kaplan, Andrew D. Ross, Peter M. Kraus, Stephen R. Leone, Phys. Rev. Research 3, 033210 (2021).", 
        "comment": "Paper where the data is discussed", 
        "doi": "10.1103/PhysRevResearch.3.033210"
      }
    ], 
    "doi": "10.24435/materialscloud:m2-31", 
    "conceptrecid": "945", 
    "publication_date": "Jul 16, 2021, 19:26:07", 
    "edited_by": 5, 
    "_oai": {
      "id": "oai:materialscloud.org:946"
    }, 
    "contributors": [
      {
        "affiliations": [
          "Department of Chemistry, University of California, Berkeley, 94720, USA", 
          "Universit\u00e9 Paris-Saclay, CEA, CNRS, LIDYL, 91191 Gif-sur-Yvette, France"
        ], 
        "email": "romain.geneaux@cea.fr", 
        "familyname": "G\u00e9neaux", 
        "givennames": "Romain"
      }, 
      {
        "affiliations": [
          "Theory and Simulation of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), \u00c9cole Polytechnique F\u00e9d\u00e9rale de Lausanne, CH-1015 Lausanne, Switzerland"
        ], 
        "email": "iurii.timrov@epfl.ch", 
        "familyname": "Timrov", 
        "givennames": "Iurii"
      }, 
      {
        "affiliations": [
          "Department of Chemistry, University of California, Berkeley, 94720, USA"
        ], 
        "email": "ckap35@gmail.com", 
        "familyname": "Kaplan", 
        "givennames": "Christopher"
      }, 
      {
        "affiliations": [
          "Department of Chemistry, University of California, Berkeley, 94720, USA"
        ], 
        "email": "adross@berkeley.edu", 
        "familyname": "Ross", 
        "givennames": "Andrew"
      }, 
      {
        "affiliations": [
          "Department of Chemistry, University of California, Berkeley, 94720, USA", 
          "Advanced Research Center for Nanolithography, Science Park 106, 1098 XG Amsterdam, Netherlands"
        ], 
        "email": "P.Kraus@arcnl.nl", 
        "familyname": "Kraus", 
        "givennames": "Peter"
      }, 
      {
        "affiliations": [
          "Department of Chemistry, University of California, Berkeley, 94720, USA", 
          "Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA", 
          "Department of Physics, University of California, Berkeley, 94720, USA"
        ], 
        "email": "srl@berkeley.edu", 
        "familyname": "Leone", 
        "givennames": "Stephen"
      }
    ], 
    "owner": 5, 
    "license_addendum": null, 
    "mcid": "2021.111", 
    "_files": [
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        "size": 216181065, 
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        "description": "Experimental and computational data", 
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    ], 
    "id": "946", 
    "status": "published"
  }, 
  "revision": 7, 
  "updated": "2021-12-06T14:12:24.383911+00:00", 
  "created": "2021-07-16T14:30:39.783702+00:00", 
  "id": "946"
}