Electronic and optical properties of the hydrogen boride sheet from the many-body perturbation theory

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{
  "revision": 12, 
  "id": "1793", 
  "created": "2023-06-08T06:51:12.556718+00:00", 
  "metadata": {
    "doi": "10.24435/materialscloud:4a-ve", 
    "status": "published", 
    "title": "Electronic and optical properties of the hydrogen boride sheet from the many-body perturbation theory", 
    "mcid": "2023.92", 
    "license_addendum": null, 
    "_files": [
      {
        "description": "Input and output files for density functional theory and many-body perturbation theory calculation with Quantum ESPRESSO and Yambo", 
        "key": "data.tar.gz", 
        "size": 7619912, 
        "checksum": "md5:e537e2eb02f3fcddfc270e51d32d895f"
      }, 
      {
        "description": "Detailed description for the data contained in data.tar.gz", 
        "key": "README.txt", 
        "size": 1955, 
        "checksum": "md5:a2e48cea03100863f37fcc772f283569"
      }
    ], 
    "owner": 690, 
    "_oai": {
      "id": "oai:materialscloud.org:1793"
    }, 
    "keywords": [
      "hydrogen boride", 
      "two-dimensional", 
      "nanosheet", 
      "DFT", 
      "density functional theory", 
      "many-body perturbation theory"
    ], 
    "conceptrecid": "1792", 
    "is_last": true, 
    "references": [
      {
        "type": "Journal reference", 
        "doi": "10.1088/1361-648X/ace8e3", 
        "citation": "L. T. Ta, Y. Morikawa, I. Hamada (submitted)."
      }
    ], 
    "publication_date": "Jun 09, 2023, 10:13:39", 
    "license": "Creative Commons Attribution 4.0 International", 
    "id": "1793", 
    "description": "We study the electronic and optical properties of the hydrogen boride sheet by using the many-body perturbation theory with the perturbative GW (G\u2080W\u2080) approximation. It was found that the hydrogen boride sheet shows a semimetallic electronic structure, supporting the previous theoretical study based on the semilocal density functional theory calculations. It was also found that the optical spectrum calculated based on the quasiparticle energies agrees well with the experiments. This work suggests that G\u2080W\u2080 approximation may be useful for predicting precise electronic and optical properties of the hydrogen boride sheet and its derivatives.", 
    "version": 1, 
    "contributors": [
      {
        "email": "ttluong@cp.prec.eng.osaka-u.ac.jp", 
        "affiliations": [
          "Department of Precision Engineering, Graduate School of Engineering, Osaka University, 2-1, Yamadaoka, Suita, Osaka 565-0871, Japan", 
          "Department of Chemistry, Institute of Environment, Vietnam Maritime University, Le Chan, Haiphong, 18000, Vietnam"
        ], 
        "familyname": "Ta", 
        "givennames": "Luong Thi"
      }, 
      {
        "email": "morikawa@prec.eng.osaka-u.ac.jp", 
        "affiliations": [
          "Department of Precision Engineering, Graduate School of Engineering, Osaka University, 2-1, Yamadaoka, Suita, Osaka 565-0871, Japan", 
          "Research Center for Precision Engineering, Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka, 565-0871, Japan"
        ], 
        "familyname": "Morikawa", 
        "givennames": "Yoshitada"
      }, 
      {
        "email": "ihamada@prec.eng.osaka-u.ac.jp", 
        "affiliations": [
          "Department of Precision Engineering, Graduate School of Engineering, Osaka University, 2-1, Yamadaoka, Suita, Osaka 565-0871, Japan"
        ], 
        "familyname": "Hamada", 
        "givennames": "Ikutaro"
      }
    ], 
    "edited_by": 690
  }, 
  "updated": "2023-07-19T23:35:56.603935+00:00"
}