Phonon-limited mobility for electrons and holes in highly-strained silicon

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{
  "metadata": {
    "edited_by": 576, 
    "owner": 1267, 
    "_oai": {
      "id": "oai:materialscloud.org:2127"
    }, 
    "description": "Strain engineering is a widely used technique for enhancing the mobility of charge carriers in semiconductors, but its effect is not fully understood. In this work, we perform first-principles calculations to explore the variations of the mobility of electrons and holes in silicon upon deformation by uniaxial strain up to 2% in the [100] crystal direction. We compute the  \u03c0\u2081\u2081 and \u03c0\u2081\u2082 electron piezoresistances based on the low-strain change of resistivity with temperature in the range 200 K to 400 K, in excellent agreement with experiment. We also predict them for holes which were only measured at room temperature. Remarkably, for electrons in the transverse direction, we predict a minimum room-temperature mobility about 1200 cm\u00b2/Vs at 0.3% uniaxial tensile strain while we observe a monotonous increase of the longitudinal transport, reaching a value of 2200 cm\u00b2/Vs at high strain.  We confirm these findings experimentally using four-point bending measurements, establishing the reliability of our first-principles calculations. For holes, we find that the transport is almost unaffected by strain up to 0.3% uniaxial tensile strain and then rises significantly, more than doubling at 2% strain. Our findings open new perspectives to boost the mobility by applying a stress in the [100] direction. This is particularly interesting for holes for which shear strain was thought for a long time to be the only way to enhance the mobility.", 
    "mcid": "2024.52", 
    "id": "2127", 
    "license": "Creative Commons Attribution Non Commercial 4.0 International", 
    "license_addendum": null, 
    "references": [
      {
        "citation": "N. Roisin, G. Brunin, G.-M. Rignanese, D. Flandre, J.-P. Raskin, and S. Ponc\u00e9 (2024) (in preparation)", 
        "type": "Preprint", 
        "comment": "Preprint where the data is discussed and in which the method is described"
      }
    ], 
    "doi": "10.24435/materialscloud:f7-p6", 
    "keywords": [
      "silicon", 
      "strain", 
      "mobility", 
      "piezoresistive", 
      "first principles"
    ], 
    "contributors": [
      {
        "affiliations": [
          "Institute of Information and Communication Technologies, Electronics and Applied Mathematics, Universit\u00e9 catholique de Louvain, Place du Levant 3, 1348 Louvain-la-Neuve, Belgium"
        ], 
        "familyname": "Roisin", 
        "email": "nicolas.roisin@uclouvain.be", 
        "givennames": "Nicolas"
      }, 
      {
        "affiliations": [
          "Matgenix, A6K Advanced Engineering Center, Square des Martyrs 1, 6000 Charleroi, Belgium", 
          "European Theoretical Spectroscopy Facility, Institute of Condensed Matter and Nanosciences, Universit\u00e9 catholique de Louvain, Chemin des Etoiles 8, 1348 Louvain-la-Neuve, Belgium"
        ], 
        "familyname": "Brunin", 
        "email": "guillaume.brunin@matgenix.com", 
        "givennames": "Guillaume"
      }, 
      {
        "affiliations": [
          "European Theoretical Spectroscopy Facility, Institute of Condensed Matter and Nanosciences, Universit\u00e9 catholique de Louvain, Chemin des Etoiles 8, 1348 Louvain-la-Neuve, Belgium", 
          "WEL Research Institute, Avenue Pasteur 6, 1300 Wavre, Belgium"
        ], 
        "familyname": "Rignanese", 
        "email": "gian-marco.rignanese@uclouvain.be", 
        "givennames": "Gian-Marco"
      }, 
      {
        "affiliations": [
          "Institute of Information and Communication Technologies, Electronics and Applied Mathematics, Universit\u00e9 catholique de Louvain, Place du Levant 3, 1348 Louvain-la-Neuve, Belgium"
        ], 
        "familyname": "Flandre", 
        "email": "denis.flandre@uclouvain.be", 
        "givennames": "Denis"
      }, 
      {
        "affiliations": [
          "Institute of Information and Communication Technologies, Electronics and Applied Mathematics, Universit\u00e9 catholique de Louvain, Place du Levant 3, 1348 Louvain-la-Neuve, Belgium"
        ], 
        "familyname": "Raskin", 
        "email": "jean-pierre.raskin@uclouvain.be", 
        "givennames": "Jean-Pierre"
      }, 
      {
        "affiliations": [
          "European Theoretical Spectroscopy Facility, Institute of Condensed Matter and Nanosciences, Universit\u00e9 catholique de Louvain, Chemin des Etoiles 8, 1348 Louvain-la-Neuve, Belgium", 
          "WEL Research Institute, Avenue Pasteur 6, 1300 Wavre, Belgium"
        ], 
        "familyname": "Ponc\u00e9", 
        "email": "samuel.ponce@uclouvain.be", 
        "givennames": "Samuel"
      }
    ], 
    "conceptrecid": "2095", 
    "version": 3, 
    "publication_date": "Apr 03, 2024, 11:24:24", 
    "is_last": false, 
    "status": "published", 
    "_files": [
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        "size": 157856, 
        "checksum": "md5:6c13cfb3ec79c4a96b6606f243fef1cc", 
        "description": "Python and bash script used in this work", 
        "key": "code.zip"
      }, 
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        "checksum": "md5:d7170bffa4f76474495d3997e346ada1", 
        "description": "ABINIT input and output files for each computations", 
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      }, 
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        "checksum": "md5:92a22b6af01f02f4f566e85280700476", 
        "description": "Description of the files and directories", 
        "key": "README.md"
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    ], 
    "title": "Phonon-limited mobility for electrons and holes in highly-strained silicon"
  }, 
  "id": "2127", 
  "updated": "2024-07-19T08:20:25.878578+00:00", 
  "created": "2024-04-02T05:55:24.333960+00:00", 
  "revision": 6
}