DOI: 10.1016/s0927-0256(00)00040-9. Quantum chemical modelling of point defects in KNbO3 perovskite crystals

Quantum chemical modelling of point defects in KNbO3 perovskite crystals

10.1016/s0927-0256(00)00040-9

Crossref journal-article

Elsevier BV

Computational Materials Science (78)

Bibliography

Kotomin, E. A., Eglitis, R. I., & Borstel, G. (2000). Quantum chemical modelling of point defects in KNbO3 perovskite crystals. Computational Materials Science, 17(2â4), 290â298.

Authors 3

E.A. Kotomin (first)
R.I. Eglitis (additional)
G. Borstel (additional)

References 40 Referenced 14

P. Günter, J.-P. Huignard, Photorefractive Materials and Their Applications, vols. 61 and 62, Springer, Berlin, 1988 (10.1007/3-540-18332-9)
10.1103/PhysRevB.44.6700 / Phys. Rev. B by Hanske-Petitpierre (1991)
{'key': '10.1016/S0927-0256(00)00040-9_BIB3', 'first-page': '5837', 'volume': '8', 'author': 'Niemann', 'year': '1996', 'journal-title': 'J. Phys.'} / J. Phys. by Niemann (1996)
10.1016/S0168-583X(98)00079-2 / Nucl. Instr. Methods B by Kotomin (1998)
10.1016/0022-3697(90)90147-8 / J. Phys. Chem. Sol. by Chen (1990)
10.1016/0038-1098(90)90910-4 / Solid State Commun. by Hodgson (1990)
A.E. Hughes, B. Henderson, in: J.H. Crawford Jr., L.M. Slifkin (Eds.), Point Defects in Solids, Plenum Press, New York, 1972
10.1088/0022-3719/9/1/015 / J. Phys. C by Stoneham (1976)
10.1088/0022-3719/10/4/012 / J. Phys. C by Norgett (1977)
10.1088/0022-3719/12/19/012 / J. Phys. C by Harding (1979)
10.1002/pssb.2220620207 / Phys. Stat. Sol. B by Schirmer (1974)
10.1088/0022-3719/12/23/012 / J. Phys. C by Mackrodt (1979)
{'key': '10.1016/S0927-0256(00)00040-9_BIB13', 'first-page': '345', 'volume': '36', 'author': 'Bezel', 'year': '1990', 'journal-title': 'Sov. Phys.'} / Sov. Phys. by Bezel (1990)
10.1002/pssb.2220730213 / Phys. Stat. Sol. B by Evarestov (1976)
10.1016/0038-1098(88)90581-9 / Solid State Commun. by Possenriede (1988)
10.1016/S0038-1098(97)00309-8 / Solid State Commun. by Grigorjeva (1997)
10.1103/PhysRevB.53.116 / Phys. Rev. B by Varnhorst (1996)
10.1103/PhysRevB.49.3746 / Phys. Rev. B by Donnerberg (1994)
{'key': '10.1016/S0927-0256(00)00040-9_BIB19', 'series-title': 'Approximate Molecular Orbital Theory', 'author': 'Pople', 'year': '1970'} / Approximate Molecular Orbital Theory by Pople (1970)
10.1007/BF00547876 / Theoret. Chim. Acta by Shluger (1985)
10.1002/pssb.2221600214 / Phys. Stat. Solidi B by Stefanovich (1990)
10.1103/PhysRevB.42.9664 / Phys. Rev. B by Shluger (1990)
10.1103/PhysRevB.49.11560 / Phys. Rev. B by Stefanovich (1994)
10.1103/PhysRevB.49.14854 / Phys. Rev. B by Stashans (1994)
10.1103/PhysRevB.51.8770 / Phys. Rev. B by Kotomin (1995)
10.1103/PhysRevB.53.159 / Phys. Rev. B by Stashans (1996)
10.1103/PhysRevB.54.2421 / Phys. Rev. B by Eglitis (1996)
10.1103/PhysRevB.55.12976 / Phys. Rev. B by Eglitis (1997)
10.1103/PhysRevLett.70.1010 / Phys. Rev. Lett. by Resta (1993)
10.1016/S0038-1098(98)00398-6 / Solid State Commun. by Eglitis (1998)
10.1002/(SICI)1521-3951(199903)212:1<53::AID-PSSB53>3.0.CO;2-F / Phys. Stat. Sol. by Vikhnin (1999)
{'key': '10.1016/S0927-0256(00)00040-9_BIB32', 'first-page': '5711', 'volume': '4', 'author': 'Shluger', 'year': '1992', 'journal-title': 'J. Phys.'} / J. Phys. by Shluger (1992)
10.1088/0022-3719/19/22/007 / J. Phys. C by Kantorovich (1986)
10.1016/0921-5107(95)01490-X / Mater. Sci. Eng. B by Kotomin (1996)
10.1002/(SICI)1521-3951(199807)208:1<15::AID-PSSB15>3.0.CO;2-5 / Phys. Stat. Solidi B by Eglitis (1998)
E.A. Kotomin, R.I. Eglitis, A.V.Postnikov, G. Borstel, N.E. Christensen, Phys. Rev 59, in press
{'key': '10.1016/S0927-0256(00)00040-9_BIB37', 'first-page': '327', 'volume': '7', 'author': 'Donnerberg', 'year': '1995', 'journal-title': 'J. Phys'} / J. Phys by Donnerberg (1995)
10.1016/S0927-0256(97)00134-1 / Comp. Mater. Sci. by Kotomin (1998)
{'key': '10.1016/S0927-0256(00)00040-9_BIB39', 'first-page': 'L315', 'volume': '9', 'author': 'Kotomin', 'year': '1997', 'journal-title': 'J. Phys.'} / J. Phys. by Kotomin (1997)
10.1103/PhysRevB.56.8599 / Phys. Rev. B by Eglitis (1997)

Dates

Type	When
Created	22 years, 4 months ago (April 4, 2003, 6:49 p.m.)
Deposited	6 years, 4 months ago (April 28, 2019, 6:30 p.m.)
Indexed	1 year, 9 months ago (Nov. 16, 2023, 6:29 p.m.)
Issued	25 years, 3 months ago (June 1, 2000)
Published	25 years, 3 months ago (June 1, 2000)
Published Print	25 years, 3 months ago (June 1, 2000)

Funders 0

None

BibTeX

@article{Kotomin_2000, title={Quantum chemical modelling of point defects in KNbO3 perovskite crystals}, volume={17}, ISSN={0927-0256}, url={http://dx.doi.org/10.1016/s0927-0256(00)00040-9}, DOI={10.1016/s0927-0256(00)00040-9}, number={2–4}, journal={Computational Materials Science}, publisher={Elsevier BV}, author={Kotomin, E.A. and Eglitis, R.I. and Borstel, G.}, year={2000}, month=jun, pages={290–298} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2023,
        11,
        16
      ]
    ],
    "date-time": "2023-11-16T23:29:47Z",
    "timestamp": 1700177387658
  },
  "reference-count": 40,
  "publisher": "Elsevier BV",
  "issue": "2-4",
  "license": [
    {
      "start": {
        "date-parts": [
          [
            2000,
            6,
            1
          ]
        ],
        "date-time": "2000-06-01T00:00:00Z",
        "timestamp": 959817600000
      },
      "content-version": "tdm",
      "delay-in-days": 0,
      "URL": "https://www.elsevier.com/tdm/userlicense/1.0/"
    }
  ],
  "content-domain": {
    "domain": [],
    "crossmark-restriction": false
  },
  "published-print": {
    "date-parts": [
      [
        2000,
        6
      ]
    ]
  },
  "DOI": "10.1016/s0927-0256(00)00040-9",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2003,
        4,
        4
      ]
    ],
    "date-time": "2003-04-04T23:49:40Z",
    "timestamp": 1049500180000
  },
  "page": "290-298",
  "source": "Crossref",
  "is-referenced-by-count": 14,
  "title": "Quantum chemical modelling of point defects in KNbO3 perovskite crystals",
  "prefix": "10.1016",
  "volume": "17",
  "author": [
    {
      "given": "E.A.",
      "family": "Kotomin",
      "sequence": "first",
      "affiliation": []
    },
    {
      "given": "R.I.",
      "family": "Eglitis",
      "sequence": "additional",
      "affiliation": []
    },
    {
      "given": "G.",
      "family": "Borstel",
      "sequence": "additional",
      "affiliation": []
    }
  ],
  "member": "78",
  "reference": [
    {
      "key": "10.1016/S0927-0256(00)00040-9_BIB1",
      "doi-asserted-by": "crossref",
      "unstructured": "P. G\u00fcnter, J.-P. Huignard, Photorefractive Materials and Their Applications, vols. 61 and 62, Springer, Berlin, 1988",
      "DOI": "10.1007/3-540-18332-9"
    },
    {
      "key": "10.1016/S0927-0256(00)00040-9_BIB2",
      "doi-asserted-by": "crossref",
      "first-page": "6700",
      "DOI": "10.1103/PhysRevB.44.6700",
      "volume": "44",
      "author": "Hanske-Petitpierre",
      "year": "1991",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "10.1016/S0927-0256(00)00040-9_BIB3",
      "first-page": "5837",
      "volume": "8",
      "author": "Niemann",
      "year": "1996",
      "journal-title": "J. Phys."
    },
    {
      "key": "10.1016/S0927-0256(00)00040-9_BIB4",
      "doi-asserted-by": "crossref",
      "first-page": "1",
      "DOI": "10.1016/S0168-583X(98)00079-2",
      "volume": "141",
      "author": "Kotomin",
      "year": "1998",
      "journal-title": "Nucl. Instr. Methods B"
    },
    {
      "key": "10.1016/S0927-0256(00)00040-9_BIB5",
      "doi-asserted-by": "crossref",
      "first-page": "747",
      "DOI": "10.1016/0022-3697(90)90147-8",
      "volume": "51",
      "author": "Chen",
      "year": "1990",
      "journal-title": "J. Phys. Chem. Sol."
    },
    {
      "key": "10.1016/S0927-0256(00)00040-9_BIB6",
      "doi-asserted-by": "crossref",
      "first-page": "351",
      "DOI": "10.1016/0038-1098(90)90910-4",
      "volume": "75",
      "author": "Hodgson",
      "year": "1990",
      "journal-title": "Solid State Commun."
    },
    {
      "key": "10.1016/S0927-0256(00)00040-9_BIB7",
      "unstructured": "A.E. Hughes, B. Henderson, in: J.H. Crawford Jr., L.M. Slifkin (Eds.), Point Defects in Solids, Plenum Press, New York, 1972"
    },
    {
      "key": "10.1016/S0927-0256(00)00040-9_BIB8",
      "doi-asserted-by": "crossref",
      "first-page": "73",
      "DOI": "10.1088/0022-3719/9/1/015",
      "volume": "9",
      "author": "Stoneham",
      "year": "1976",
      "journal-title": "J. Phys. C"
    },
    {
      "key": "10.1016/S0927-0256(00)00040-9_BIB9",
      "doi-asserted-by": "crossref",
      "first-page": "555",
      "DOI": "10.1088/0022-3719/10/4/012",
      "volume": "10",
      "author": "Norgett",
      "year": "1977",
      "journal-title": "J. Phys. C"
    },
    {
      "key": "10.1016/S0927-0256(00)00040-9_BIB10",
      "doi-asserted-by": "crossref",
      "first-page": "3931",
      "DOI": "10.1088/0022-3719/12/19/012",
      "volume": "12",
      "author": "Harding",
      "year": "1979",
      "journal-title": "J. Phys. C"
    },
    {
      "key": "10.1016/S0927-0256(00)00040-9_BIB11",
      "doi-asserted-by": "crossref",
      "first-page": "385",
      "DOI": "10.1002/pssb.2220620207",
      "volume": "62",
      "author": "Schirmer",
      "year": "1974",
      "journal-title": "Phys. Stat. Sol. B"
    },
    {
      "key": "10.1016/S0927-0256(00)00040-9_BIB12",
      "doi-asserted-by": "crossref",
      "first-page": "5015",
      "DOI": "10.1088/0022-3719/12/23/012",
      "volume": "12",
      "author": "Mackrodt",
      "year": "1979",
      "journal-title": "J. Phys. C"
    },
    {
      "key": "10.1016/S0927-0256(00)00040-9_BIB13",
      "first-page": "345",
      "volume": "36",
      "author": "Bezel",
      "year": "1990",
      "journal-title": "Sov. Phys."
    },
    {
      "key": "10.1016/S0927-0256(00)00040-9_BIB14",
      "doi-asserted-by": "crossref",
      "first-page": "483",
      "DOI": "10.1002/pssb.2220730213",
      "volume": "73",
      "author": "Evarestov",
      "year": "1976",
      "journal-title": "Phys. Stat. Sol. B"
    },
    {
      "key": "10.1016/S0927-0256(00)00040-9_BIB15",
      "doi-asserted-by": "crossref",
      "first-page": "31",
      "DOI": "10.1016/0038-1098(88)90581-9",
      "volume": "65",
      "author": "Possenriede",
      "year": "1988",
      "journal-title": "Solid State Commun."
    },
    {
      "key": "10.1016/S0927-0256(00)00040-9_BIB16",
      "doi-asserted-by": "crossref",
      "first-page": "327",
      "DOI": "10.1016/S0038-1098(97)00309-8",
      "volume": "104",
      "author": "Grigorjeva",
      "year": "1997",
      "journal-title": "Solid State Commun."
    },
    {
      "key": "10.1016/S0927-0256(00)00040-9_BIB17",
      "doi-asserted-by": "crossref",
      "first-page": "116",
      "DOI": "10.1103/PhysRevB.53.116",
      "volume": "53",
      "author": "Varnhorst",
      "year": "1996",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "10.1016/S0927-0256(00)00040-9_BIB18",
      "doi-asserted-by": "crossref",
      "first-page": "3746",
      "DOI": "10.1103/PhysRevB.49.3746",
      "volume": "49",
      "author": "Donnerberg",
      "year": "1994",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "10.1016/S0927-0256(00)00040-9_BIB19",
      "series-title": "Approximate Molecular Orbital Theory",
      "author": "Pople",
      "year": "1970"
    },
    {
      "key": "10.1016/S0927-0256(00)00040-9_BIB20",
      "doi-asserted-by": "crossref",
      "first-page": "355",
      "DOI": "10.1007/BF00547876",
      "volume": "66",
      "author": "Shluger",
      "year": "1985",
      "journal-title": "Theoret. Chim. Acta"
    },
    {
      "key": "10.1016/S0927-0256(00)00040-9_BIB21",
      "doi-asserted-by": "crossref",
      "first-page": "529",
      "DOI": "10.1002/pssb.2221600214",
      "volume": "160",
      "author": "Stefanovich",
      "year": "1990",
      "journal-title": "Phys. Stat. Solidi B"
    },
    {
      "key": "10.1016/S0927-0256(00)00040-9_BIB22",
      "doi-asserted-by": "crossref",
      "first-page": "9664",
      "DOI": "10.1103/PhysRevB.42.9664",
      "volume": "42",
      "author": "Shluger",
      "year": "1990",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "10.1016/S0927-0256(00)00040-9_BIB23",
      "doi-asserted-by": "crossref",
      "first-page": "11560",
      "DOI": "10.1103/PhysRevB.49.11560",
      "volume": "49",
      "author": "Stefanovich",
      "year": "1994",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "10.1016/S0927-0256(00)00040-9_BIB24",
      "doi-asserted-by": "crossref",
      "first-page": "14854",
      "DOI": "10.1103/PhysRevB.49.14854",
      "volume": "49",
      "author": "Stashans",
      "year": "1994",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "10.1016/S0927-0256(00)00040-9_BIB25",
      "doi-asserted-by": "crossref",
      "first-page": "8770",
      "DOI": "10.1103/PhysRevB.51.8770",
      "volume": "51",
      "author": "Kotomin",
      "year": "1995",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "10.1016/S0927-0256(00)00040-9_BIB26",
      "doi-asserted-by": "crossref",
      "first-page": "159",
      "DOI": "10.1103/PhysRevB.53.159",
      "volume": "53",
      "author": "Stashans",
      "year": "1996",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "10.1016/S0927-0256(00)00040-9_BIB27",
      "doi-asserted-by": "crossref",
      "first-page": "2421",
      "DOI": "10.1103/PhysRevB.54.2421",
      "volume": "54",
      "author": "Eglitis",
      "year": "1996",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "10.1016/S0927-0256(00)00040-9_BIB28",
      "doi-asserted-by": "crossref",
      "first-page": "12976",
      "DOI": "10.1103/PhysRevB.55.12976",
      "volume": "55",
      "author": "Eglitis",
      "year": "1997",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "10.1016/S0927-0256(00)00040-9_BIB29",
      "doi-asserted-by": "crossref",
      "first-page": "1010",
      "DOI": "10.1103/PhysRevLett.70.1010",
      "volume": "70",
      "author": "Resta",
      "year": "1993",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "10.1016/S0927-0256(00)00040-9_BIB30",
      "doi-asserted-by": "crossref",
      "first-page": "333",
      "DOI": "10.1016/S0038-1098(98)00398-6",
      "volume": "108",
      "author": "Eglitis",
      "year": "1998",
      "journal-title": "Solid State Commun."
    },
    {
      "key": "10.1016/S0927-0256(00)00040-9_BIB31",
      "doi-asserted-by": "crossref",
      "first-page": "53",
      "DOI": "10.1002/(SICI)1521-3951(199903)212:1<53::AID-PSSB53>3.0.CO;2-F",
      "volume": "212",
      "author": "Vikhnin",
      "year": "1999",
      "journal-title": "Phys. Stat. Sol."
    },
    {
      "key": "10.1016/S0927-0256(00)00040-9_BIB32",
      "first-page": "5711",
      "volume": "4",
      "author": "Shluger",
      "year": "1992",
      "journal-title": "J. Phys."
    },
    {
      "key": "10.1016/S0927-0256(00)00040-9_BIB33",
      "doi-asserted-by": "crossref",
      "first-page": "4183",
      "DOI": "10.1088/0022-3719/19/22/007",
      "volume": "19",
      "author": "Kantorovich",
      "year": "1986",
      "journal-title": "J. Phys. C"
    },
    {
      "key": "10.1016/S0927-0256(00)00040-9_BIB34",
      "doi-asserted-by": "crossref",
      "first-page": "212",
      "DOI": "10.1016/0921-5107(95)01490-X",
      "volume": "37",
      "author": "Kotomin",
      "year": "1996",
      "journal-title": "Mater. Sci. Eng. B"
    },
    {
      "key": "10.1016/S0927-0256(00)00040-9_BIB35",
      "doi-asserted-by": "crossref",
      "first-page": "15",
      "DOI": "10.1002/(SICI)1521-3951(199807)208:1<15::AID-PSSB15>3.0.CO;2-5",
      "volume": "208",
      "author": "Eglitis",
      "year": "1998",
      "journal-title": "Phys. Stat. Solidi B"
    },
    {
      "key": "10.1016/S0927-0256(00)00040-9_BIB36",
      "unstructured": "E.A. Kotomin, R.I. Eglitis, A.V.Postnikov, G. Borstel, N.E. Christensen, Phys. Rev 59, in press"
    },
    {
      "key": "10.1016/S0927-0256(00)00040-9_BIB37",
      "first-page": "327",
      "volume": "7",
      "author": "Donnerberg",
      "year": "1995",
      "journal-title": "J. Phys"
    },
    {
      "key": "10.1016/S0927-0256(00)00040-9_BIB38",
      "doi-asserted-by": "crossref",
      "first-page": "339",
      "DOI": "10.1016/S0927-0256(97)00134-1",
      "volume": "10",
      "author": "Kotomin",
      "year": "1998",
      "journal-title": "Comp. Mater. Sci."
    },
    {
      "key": "10.1016/S0927-0256(00)00040-9_BIB39",
      "first-page": "L315",
      "volume": "9",
      "author": "Kotomin",
      "year": "1997",
      "journal-title": "J. Phys."
    },
    {
      "key": "10.1016/S0927-0256(00)00040-9_BIB40",
      "doi-asserted-by": "crossref",
      "first-page": "8599",
      "DOI": "10.1103/PhysRevB.56.8599",
      "volume": "56",
      "author": "Eglitis",
      "year": "1997",
      "journal-title": "Phys. Rev. B"
    }
  ],
  "container-title": "Computational Materials Science",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://api.elsevier.com/content/article/PII:S0927025600000409?httpAccept=text/xml",
      "content-type": "text/xml",
      "content-version": "vor",
      "intended-application": "text-mining"
    },
    {
      "URL": "https://api.elsevier.com/content/article/PII:S0927025600000409?httpAccept=text/plain",
      "content-type": "text/plain",
      "content-version": "vor",
      "intended-application": "text-mining"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2019,
        4,
        28
      ]
    ],
    "date-time": "2019-04-28T22:30:01Z",
    "timestamp": 1556490601000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://linkinghub.elsevier.com/retrieve/pii/S0927025600000409"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        2000,
        6
      ]
    ]
  },
  "references-count": 40,
  "journal-issue": {
    "issue": "2-4",
    "published-print": {
      "date-parts": [
        [
          2000,
          6
        ]
      ]
    }
  },
  "alternative-id": [
    "S0927025600000409"
  ],
  "URL": "http://dx.doi.org/10.1016/S0927-0256(00)00040-9",
  "relation": {},
  "ISSN": [
    "0927-0256"
  ],
  "subject": [],
  "container-title-short": "Computational Materials Science",
  "published": {
    "date-parts": [
      [
        2000,
        6
      ]
    ]
  }
}