{
  "abstract": "P-type doping in ZnO-based semiconductors is a key challenge limiting their optoelectronic applications. Theoretical research indicated that, compared to hexagonal wurtzite (HW) ZnO, rocksalt (RS) and zinc blende (ZB) ZnO can achieve efficient p-type doping more efficiently, however, they were both metastable in normal conditions. MgZnO (MZO), stable in both HW and RS phases at room temperature, is a potential solution. This study employs first-principles calculations to examine the properties of MZO doped with group V elements. It shows that N doping in HW-MZO is hindered by high defect formation energies, whereas RS-MZO exhibits lower formation energies while maintaining a stable crystal structure. These advantages help to overcome both the doping difficulty in HW-ZnO and the metastability of RS-ZnO, positioning RS-MZO as a promising material for p-type doping in ZnO based semiconductors and improving the efficiency and stability of p-type doping.",
  "abstract_shown": true,
  "affiliations": [
    "Fujian Provincial Key Laboratory of Semiconductor Materials and Applications, CI Center for OSED, College of Physical Science and Technology, Xiamen University Xiamen 361005 P. R. China huahan@xmu.edu.cn."
  ],
  "article_type": "research article",
  "arxiv": null,
  "author_total": 7,
  "authors": [
    {
      "affs": [
        0
      ],
      "name": "Zehua Jing",
      "orcid": "0009-0007-3700-6050"
    },
    {
      "affs": [
        0
      ],
      "name": "Zihan Chen"
    },
    {
      "affs": [
        0
      ],
      "name": "Hui Feng"
    },
    {
      "affs": [
        0
      ],
      "name": "Jiawei Hao"
    },
    {
      "affs": [
        0
      ],
      "name": "Huahan Zhan",
      "orcid": "0000-0002-3370-9193"
    },
    {
      "affs": [
        0
      ],
      "name": "Junyong Kang"
    },
    {
      "affs": [
        0
      ],
      "name": "Kaihang Li"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/70p60vrths04y.bib",
  "cited_by": 0,
  "doi": "10.1039/d6ra06499j",
  "fulltext_url": "https://europepmc.org/articles/PMC13647121",
  "id": "70p60vrths04y",
  "issns": [
    "2046-2069"
  ],
  "landing_url": "https://europepmc.org/article/MED/42852045",
  "language": "eng",
  "licence": "CC-BY-NC",
  "licence_label": "CC BY-NC",
  "licence_source": "article",
  "licence_url": "https://creativecommons.org/licenses/by-nc/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "openalex",
      "2505|ZnO doping and properties"
    ]
  ],
  "openalex": "W7221029351",
  "pdf_url": "https://europepmc.org/articles/PMC13647121?pdf=render",
  "pmcid": "PMC13647121",
  "pmid": "42852045",
  "published": "2026-10-08",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/70p60vrths04y.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:18:02Z",
      "native_id": "MED:42852045",
      "source": "europepmc",
      "url": "https://europepmc.org/article/MED/42852045"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:2505|ZnO doping and properties",
      "subfield": "materials-polymers"
    }
  ],
  "title": "First-principles design of efficient p-type doping in rocksalt MgZnO using group-V elements.",
  "title_text": "First-principles design of efficient p-type doping in rocksalt MgZnO using group-V elements.",
  "type": "peer-reviewed",
  "updated_at": "2026-10-30T12:18:02Z",
  "url": "https://research.draconitic.com/paper/70p60vrths04y",
  "venue": "RSC advances",
  "versions": []
}