How Does Chemistry Influence Electron Effective Mass in Oxides? A High-Throughput Computational Analysis

  • Geoffroy Hautier
    Institute of Condensed Matter and Nanosciences, European Theoretical Spectroscopy Facility (ETSF), Université catholique de Louvain, Chemin des étoiles 8, bte L7.03.01, 1348 Louvain-la-Neuve, Belgium
  • Anna Miglio
    Institute of Condensed Matter and Nanosciences, European Theoretical Spectroscopy Facility (ETSF), Université catholique de Louvain, Chemin des étoiles 8, bte L7.03.01, 1348 Louvain-la-Neuve, Belgium
  • David Waroquiers
    Institute of Condensed Matter and Nanosciences, European Theoretical Spectroscopy Facility (ETSF), Université catholique de Louvain, Chemin des étoiles 8, bte L7.03.01, 1348 Louvain-la-Neuve, Belgium
  • Gian-Marco Rignanese
    Institute of Condensed Matter and Nanosciences, European Theoretical Spectroscopy Facility (ETSF), Université catholique de Louvain, Chemin des étoiles 8, bte L7.03.01, 1348 Louvain-la-Neuve, Belgium
  • Xavier Gonze
    Institute of Condensed Matter and Nanosciences, European Theoretical Spectroscopy Facility (ETSF), Université catholique de Louvain, Chemin des étoiles 8, bte L7.03.01, 1348 Louvain-la-Neuve, Belgium

収録刊行物

  • Chemistry of Materials

    Chemistry of Materials 26 (19), 5447-5458, 2014-10-01

    American Chemical Society (ACS)

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