DOI: 10.1063/1.1452789. Self-doping of cadmium stannate in the inverse spinel structure

Self-doping of cadmium stannate in the inverse spinel structure

10.1063/1.1452789

Crossref journal-article

AIP Publishing

Applied Physics Letters (317)

Abstract

Using first-principles total energy calculations, we have studied self-doping in the ternary transparent conducting oxide, Cd2SnO4. Formation of the CdO and SnO2 binaries limits the inverse spinel Cd2SnO4 phase into a narrow region in the atomic chemical potential (μ) space. This suggests that μSn is not independent of μCd, so a Cd-rich growth or annealing condition also implies Sn-rich, and vice versa. We found that the widely accepted intrinsic donors such as oxygen vacancy and cadmium interstitial are not responsible for the observed conductivity in Cd2SnO4: both require too much energy to form. In addition, the oxygen vacancy is rather deep. We show instead that the Sn-on-Cd antisite defect is the most probable donor responsible for the n typeness under Cd-rich conditions.

Bibliography

Zhang, S. B., & Wei, S.-H. (2002). Self-doping of cadmium stannate in the inverse spinel structure. Applied Physics Letters, 80(8), 1376â1378.

Authors 2

S. B. Zhang (first)
Su-Huai Wei (additional)

References 21 Referenced 55

{'key': '2024020321440795100_r1', 'first-page': '8', 'volume-title': 'MRS Bull.', 'year': '2000'} / MRS Bull. (2000)
10.1038/40087 / Nature (London) (1997)
10.1063/1.1337587 / J. Appl. Phys. (2001)
10.1063/1.1355673 / Appl. Phys. Lett. (2001)
10.1063/1.121761 / Appl. Phys. Lett. (1998)
{'key': '2024020321440795100_r6', 'first-page': 'L2505', 'volume': '38', 'year': '1999', 'journal-title': 'Jpn. J. Appl. Phys., Part 2'} / Jpn. J. Appl. Phys., Part 2 (1999)
10.1007/BF02666727 / J. Electron. Mater. (1996)
{'key': '2024020321440795100_r8'}
{'key': '2024020321440795100_r9', 'first-page': '075', 'volume': '63', 'year': '2001', 'journal-title': 'Phys. Rev. B'} / Phys. Rev. B (2001)
10.1088/0022-3719/12/21/009 / J. Phys. C (1979)
10.1103/PhysRev.140.A1133 / Phys. Rev. (1965)
10.1103/PhysRevB.43.1993 / Phys. Rev. B (1991)
10.1103/PhysRevLett.45.566 / Phys. Rev. Lett. (1980)
10.1063/1.91921 / Appl. Phys. Lett. (1980)
{'key': '2024020321440795100_r15'}
{'key': '2024020321440795100_r16', 'first-page': '045', 'volume': '63', 'year': '2001', 'journal-title': 'Phys. Rev. B'} / Phys. Rev. B (2001)
10.1103/PhysRevLett.67.2339 / Phys. Rev. Lett. (1991)
10.1103/PhysRevB.57.9642 / Phys. Rev. B (1998)
10.1017/S0885715600015190 / Powder Diffr. (1990)
{'key': '2024020321440795100_r20'}
{'key': '2024020321440795100_r21'}

Dates

Type	When
Created	23 years ago (July 26, 2002, 9:26 a.m.)
Deposited	1 year, 6 months ago (Feb. 3, 2024, 4:48 p.m.)
Indexed	4 months, 2 weeks ago (April 8, 2025, 6:04 p.m.)
Issued	23 years, 5 months ago (Feb. 25, 2002)
Published	23 years, 5 months ago (Feb. 25, 2002)
Published Print	23 years, 5 months ago (Feb. 25, 2002)

Funders 0

None

BibTeX

@article{Zhang_2002, title={Self-doping of cadmium stannate in the inverse spinel structure}, volume={80}, ISSN={1077-3118}, url={http://dx.doi.org/10.1063/1.1452789}, DOI={10.1063/1.1452789}, number={8}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={Zhang, S. B. and Wei, Su-Huai}, year={2002}, month=feb, pages={1376–1378} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        4,
        8
      ]
    ],
    "date-time": "2025-04-08T22:04:07Z",
    "timestamp": 1744149847999
  },
  "reference-count": 21,
  "publisher": "AIP Publishing",
  "issue": "8",
  "content-domain": {
    "domain": [
      "pubs.aip.org"
    ],
    "crossmark-restriction": true
  },
  "published-print": {
    "date-parts": [
      [
        2002,
        2,
        25
      ]
    ]
  },
  "abstract": "<jats:p>Using first-principles total energy calculations, we have studied self-doping in the ternary transparent conducting oxide, Cd2SnO4. Formation of the CdO and SnO2 binaries limits the inverse spinel Cd2SnO4 phase into a narrow region in the atomic chemical potential (\u03bc) space. This suggests that \u03bcSn is not independent of \u03bcCd, so a Cd-rich growth or annealing condition also implies Sn-rich, and vice versa. We found that the widely accepted intrinsic donors such as oxygen vacancy and cadmium interstitial are not responsible for the observed conductivity in Cd2SnO4: both require too much energy to form. In addition, the oxygen vacancy is rather deep. We show instead that the Sn-on-Cd antisite defect is the most probable donor responsible for the n typeness under Cd-rich conditions.</jats:p>",
  "DOI": "10.1063/1.1452789",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2002,
        7,
        26
      ]
    ],
    "date-time": "2002-07-26T13:26:45Z",
    "timestamp": 1027690005000
  },
  "page": "1376-1378",
  "update-policy": "http://dx.doi.org/10.1063/aip-crossmark-policy-page",
  "source": "Crossref",
  "is-referenced-by-count": 55,
  "title": "Self-doping of cadmium stannate in the inverse spinel structure",
  "prefix": "10.1063",
  "volume": "80",
  "author": [
    {
      "given": "S. B.",
      "family": "Zhang",
      "sequence": "first",
      "affiliation": [
        {
          "name": "National Renewable Energy Laboratory, Golden, Colorado\u200980401"
        }
      ]
    },
    {
      "given": "Su-Huai",
      "family": "Wei",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "National Renewable Energy Laboratory, Golden, Colorado\u200980401"
        }
      ]
    }
  ],
  "member": "317",
  "reference": [
    {
      "key": "2024020321440795100_r1",
      "first-page": "8",
      "volume-title": "MRS Bull.",
      "year": "2000"
    },
    {
      "key": "2024020321440795100_r2",
      "doi-asserted-by": "crossref",
      "first-page": "939",
      "DOI": "10.1038/40087",
      "volume": "389",
      "year": "1997",
      "journal-title": "Nature (London)"
    },
    {
      "key": "2024020321440795100_r3",
      "doi-asserted-by": "crossref",
      "first-page": "1790",
      "DOI": "10.1063/1.1337587",
      "volume": "89",
      "year": "2001",
      "journal-title": "J. Appl. Phys."
    },
    {
      "key": "2024020321440795100_r4",
      "doi-asserted-by": "crossref",
      "first-page": "1583",
      "DOI": "10.1063/1.1355673",
      "volume": "78",
      "year": "2001",
      "journal-title": "Appl. Phys. Lett."
    },
    {
      "key": "2024020321440795100_r5",
      "doi-asserted-by": "crossref",
      "first-page": "220",
      "DOI": "10.1063/1.121761",
      "volume": "73",
      "year": "1998",
      "journal-title": "Appl. Phys. Lett."
    },
    {
      "key": "2024020321440795100_r6",
      "first-page": "L2505",
      "volume": "38",
      "year": "1999",
      "journal-title": "Jpn. J. Appl. Phys., Part 2"
    },
    {
      "key": "2024020321440795100_r7",
      "doi-asserted-by": "crossref",
      "first-page": "935",
      "DOI": "10.1007/BF02666727",
      "volume": "25",
      "year": "1996",
      "journal-title": "J. Electron. Mater."
    },
    {
      "key": "2024020321440795100_r8"
    },
    {
      "key": "2024020321440795100_r9",
      "first-page": "075",
      "volume": "63",
      "year": "2001",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "2024020321440795100_r10",
      "doi-asserted-by": "crossref",
      "first-page": "4409",
      "DOI": "10.1088/0022-3719/12/21/009",
      "volume": "12",
      "year": "1979",
      "journal-title": "J. Phys. C"
    },
    {
      "key": "2024020321440795100_r11",
      "doi-asserted-by": "crossref",
      "first-page": "A1133",
      "DOI": "10.1103/PhysRev.140.A1133",
      "volume": "140",
      "year": "1965",
      "journal-title": "Phys. Rev."
    },
    {
      "key": "2024020321440795100_r12",
      "doi-asserted-by": "crossref",
      "first-page": "1993",
      "DOI": "10.1103/PhysRevB.43.1993",
      "volume": "43",
      "year": "1991",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "2024020321440795100_r13",
      "doi-asserted-by": "crossref",
      "first-page": "566",
      "DOI": "10.1103/PhysRevLett.45.566",
      "volume": "45",
      "year": "1980",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "2024020321440795100_r14",
      "doi-asserted-by": "crossref",
      "first-page": "320",
      "DOI": "10.1063/1.91921",
      "volume": "37",
      "year": "1980",
      "journal-title": "Appl. Phys. Lett."
    },
    {
      "key": "2024020321440795100_r15"
    },
    {
      "key": "2024020321440795100_r16",
      "first-page": "045",
      "volume": "63",
      "year": "2001",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "2024020321440795100_r17",
      "doi-asserted-by": "crossref",
      "first-page": "2339",
      "DOI": "10.1103/PhysRevLett.67.2339",
      "volume": "67",
      "year": "1991",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "2024020321440795100_r18",
      "doi-asserted-by": "crossref",
      "first-page": "9642",
      "DOI": "10.1103/PhysRevB.57.9642",
      "volume": "57",
      "year": "1998",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "2024020321440795100_r19",
      "doi-asserted-by": "crossref",
      "first-page": "36",
      "DOI": "10.1017/S0885715600015190",
      "volume": "5",
      "year": "1990",
      "journal-title": "Powder Diffr."
    },
    {
      "key": "2024020321440795100_r20"
    },
    {
      "key": "2024020321440795100_r21"
    }
  ],
  "container-title": "Applied Physics Letters",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.aip.org/aip/apl/article-pdf/80/8/1376/18564472/1376_1_online.pdf",
      "content-type": "application/pdf",
      "content-version": "vor",
      "intended-application": "syndication"
    },
    {
      "URL": "https://pubs.aip.org/aip/apl/article-pdf/80/8/1376/18564472/1376_1_online.pdf",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2024,
        2,
        3
      ]
    ],
    "date-time": "2024-02-03T21:48:43Z",
    "timestamp": 1706996923000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.aip.org/apl/article/80/8/1376/511390/Self-doping-of-cadmium-stannate-in-the-inverse"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        2002,
        2,
        25
      ]
    ]
  },
  "references-count": 21,
  "journal-issue": {
    "issue": "8",
    "published-print": {
      "date-parts": [
        [
          2002,
          2,
          25
        ]
      ]
    }
  },
  "URL": "http://dx.doi.org/10.1063/1.1452789",
  "relation": {},
  "ISSN": [
    "0003-6951",
    "1077-3118"
  ],
  "subject": [],
  "published-other": {
    "date-parts": [
      [
        2002,
        2,
        25
      ]
    ]
  },
  "published": {
    "date-parts": [
      [
        2002,
        2,
        25
      ]
    ]
  }
}