Electronic structure and effective charges on atoms near anion point defects in uranium dioxide

Mikhail V. Ryzhkov, Maxim A. Kovalenko, Anatolii Ya Kupryazhkin, Sanjeev K. Gupta

Результат исследований: Вклад в журналСтатьяНаучно-исследовательскаярецензирование

ЯзыкАнглийский
Номер статьиe00353
ЖурналComputational Condensed Matter
Том18
DOI
СостояниеОпубликовано - 1 мар 2019

Отпечаток

Uranium dioxide
Point defects
dioxides
point defects
uranium
Electronic structure
Anions
Negative ions
electronic structure
anions
Atoms
Defects
defects
Oxygen vacancies
Carrier concentration
atoms
oxygen
Oxygen
Electronic density of states
Electronic states

Ключевые слова

    Предметные области ASJC Scopus

    • Electronic, Optical and Magnetic Materials
    • Materials Science (miscellaneous)
    • Condensed Matter Physics
    • Materials Chemistry

    Цитировать

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    title = "Electronic structure and effective charges on atoms near anion point defects in uranium dioxide",
    keywords = "Charge compensation of anion point defects in uranium dioxide, Charge states of point defects, Relativistic DFT calculations",
    author = "Ryzhkov, {Mikhail V.} and Kovalenko, {Maxim A.} and Kupryazhkin, {Anatolii Ya} and Gupta, {Sanjeev K.}",
    year = "2019",
    month = "3",
    day = "1",
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    journal = "Computational Condensed Matter",
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    publisher = "Elsevier",

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    Electronic structure and effective charges on atoms near anion point defects in uranium dioxide. / Ryzhkov, Mikhail V.; Kovalenko, Maxim A.; Kupryazhkin, Anatolii Ya; Gupta, Sanjeev K.

    В: Computational Condensed Matter, Том 18, e00353, 01.03.2019.

    Результат исследований: Вклад в журналСтатьяНаучно-исследовательскаярецензирование

    TY - JOUR

    T1 - Electronic structure and effective charges on atoms near anion point defects in uranium dioxide

    AU - Ryzhkov,Mikhail V.

    AU - Kovalenko,Maxim A.

    AU - Kupryazhkin,Anatolii Ya

    AU - Gupta,Sanjeev K.

    PY - 2019/3/1

    Y1 - 2019/3/1

    KW - Charge compensation of anion point defects in uranium dioxide

    KW - Charge states of point defects

    KW - Relativistic DFT calculations

    UR - http://www.scopus.com/inward/record.url?scp=85058704441&partnerID=8YFLogxK

    U2 - 10.1016/j.cocom.2018.e00353

    DO - 10.1016/j.cocom.2018.e00353

    M3 - Article

    VL - 18

    JO - Computational Condensed Matter

    T2 - Computational Condensed Matter

    JF - Computational Condensed Matter

    SN - 2352-2143

    M1 - e00353

    ER -