Electronic Structures of Mixed Ionic-Electronic Conductors SrCoOx Научная публикация
| Журнал |
Journal of Physics and Chemistry of Solids
ISSN: 0022-3697 |
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| Вых. Данные | Год: 2010, Том: 71, Номер: 11, Страницы: 1581-1586 Страниц : 6 DOI: 10.1016/j.jpcs.2010.08.008 | ||
| Ключевые слова | Activation energy; Defects; Electronic properties; Magnetic moments; Oxygen; Oxygen vacancies | ||
| Авторы |
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| Организации |
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Реферат:
Electronic structures of SrCoOx with x=3, 2.875 and 2.75 were calculated by DFT technique in SLDA approximation. Two kinds of oxygen vacancy ordering with energies of 0.22 and 0.01 eV lower in comparison with random vacancy distribution were revealed. The transition between these ordered vacancy systems with the activation energy 0.34 eV can be a step in the ionic conductivity mechanism. The calculated ion charges, magnetic moments and electron density of states were used to analyze chemical bonding in the crystals. All calculated compounds have metal electronic conductivity.
Библиографическая ссылка:
Tapilin V.M.
, Cholach A.R.
, Bulgakov N.N.
Electronic Structures of Mixed Ionic-Electronic Conductors SrCoOx
Journal of Physics and Chemistry of Solids. 2010. V.71. N11. P.1581-1586. DOI: 10.1016/j.jpcs.2010.08.008 WOS Scopus РИНЦ CAPlusCA OpenAlex
Electronic Structures of Mixed Ionic-Electronic Conductors SrCoOx
Journal of Physics and Chemistry of Solids. 2010. V.71. N11. P.1581-1586. DOI: 10.1016/j.jpcs.2010.08.008 WOS Scopus РИНЦ CAPlusCA OpenAlex
Даты:
| Поступила в редакцию: | 17 сент. 2009 г. |
| Принята к публикации: | 11 авг. 2010 г. |
| Опубликована online: | 14 авг. 2010 г. |
| Опубликована в печати: | 1 нояб. 2010 г. |
Идентификаторы БД:
| Web of science: | WOS:000283204700013 |
| Scopus: | 2-s2.0-77957310877 |
| РИНЦ: | 15331516 |
| Chemical Abstracts: | 2010:1206708 |
| Chemical Abstracts (print): | 155:257411 |
| OpenAlex: | W2019524008 |