Carrier lifetimes and polaronic mass enhancement in the hybrid halide perovskite CH₃NH₃PbI₃ from multiphonon Fröhlich coupling

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{
  "revision": 6, 
  "id": "847", 
  "created": "2021-05-06T15:55:01.751673+00:00", 
  "metadata": {
    "doi": "10.24435/materialscloud:wg-d5", 
    "status": "published", 
    "title": "Carrier lifetimes and polaronic mass enhancement in the hybrid halide perovskite CH\u2083NH\u2083PbI\u2083 from multiphonon Fr\u00f6hlich coupling", 
    "mcid": "2021.71", 
    "license_addendum": null, 
    "_files": [
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        "key": "Schlipf-PRL-2018.tar.gz", 
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    "owner": 115, 
    "_oai": {
      "id": "oai:materialscloud.org:847"
    }, 
    "keywords": [
      "Electron-phonon coupling", 
      "First-principles calculations", 
      "Semiconductors", 
      "Perovskite", 
      "CH3NH3PbI3", 
      "PRACE"
    ], 
    "conceptrecid": "846", 
    "is_last": true, 
    "references": [
      {
        "type": "Journal reference", 
        "doi": "10.1103/PhysRevLett.121.086402", 
        "url": "https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.121.086402", 
        "citation": "M. Schlipf, S. Ponc\u00e9, and F. Giustino, Phys. Rev. Lett. 121, 086402 (2018)"
      }
    ], 
    "publication_date": "May 07, 2021, 10:24:13", 
    "license": "Creative Commons Attribution 4.0 International", 
    "id": "847", 
    "description": "We elucidate the nature of the electron-phonon interaction in the archetypal hybrid perovskite CH\u2083NH\u2083PbI\u2083 using ab initio many-body calculations and an exactly solvable model. We demonstrate that electrons and holes near the band edges primarily interact with three distinct groups of longitudinal-optical vibrations, in order of importance: the stretching of the Pb-I bond, the bending of the Pb-I-Pb bonds, and the libration of the organic cations. These polar phonons induce ultrafast intraband carrier relaxation over timescales of 6\u201330 fs and yield polaron effective masses 28% heavier than the bare band masses. These findings allow us to rationalize previous experimental observations and provide a key to understanding carrier dynamics in halide perovskites.", 
    "version": 1, 
    "contributors": [
      {
        "email": "martin.schlipf@gmail.com", 
        "affiliations": [
          "Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH, United Kingdom"
        ], 
        "familyname": "Schlipf", 
        "givennames": "Martin"
      }, 
      {
        "email": "samuel.pon@gmail.com", 
        "affiliations": [
          "Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH, United Kingdom"
        ], 
        "familyname": "Ponc\u00e9", 
        "givennames": "Samuel"
      }, 
      {
        "email": "feliciano.giustino@materials.ox.ac.uk", 
        "affiliations": [
          "Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH, United Kingdom", 
          "Department of Materials Science and Engineering, Cornell University, Ithaca, New York 14853, USA"
        ], 
        "familyname": "Giustino", 
        "givennames": "Feliciano"
      }
    ], 
    "edited_by": 100
  }, 
  "updated": "2021-05-07T08:24:13.606647+00:00"
}