The Influence of A- and B-Cation Substitution on Electronic Structure of SrFeO3 and SrCoO3 Научная публикация
Конференция |
V International Conference on Fundamental Bases of Mechanochemical Technologies 26-28 июн. 2018 , Novosibirsk |
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Журнал |
Materials Today: Proceedings
ISSN: 2214-7853 |
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Вых. Данные | Год: 2019, Том: 12, Страницы: 21-24 Страниц : 4 DOI: 10.1016/j.matpr.2019.02.208 | ||||
Ключевые слова | perovskites; oxides; density functional theory; electronic structure | ||||
Авторы |
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Организации |
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Информация о финансировании (1)
1 | Российский научный фонд | 18-13-00059 |
Реферат:
Oxides with perovskite structure SrFeO3 and SrCoO3 are ancestors of wide range of technologically important substances, used as oxide ionic conductors. Previously we use the substitution of the cations in the B positions by high-charge ions Mo6+ W6+ Ta5+ Nb5+ to modify the properties of this class of oxygen-deficient oxides. Doping with these elements suppressed phase transitions in oxides based on cobalt-ferrite strontium-barium, reduced the size of nanodomains and rise chemical and structure stability of these oxides. Now we performed the theoretical study of the influence of A- and B- substitution on electronic structure of SrFeO3 and SrCoO3 in the order to clarify how the doping by high-charge cations affects the properties and electronic structure of oxides (C) 2019 Elsevier Ltd. All rights reserved.
Библиографическая ссылка:
Gainutdinov I.I.
, Nemudry A.P.
, Zilberberg I.L.
The Influence of A- and B-Cation Substitution on Electronic Structure of SrFeO3 and SrCoO3
Materials Today: Proceedings. 2019. V.12. P.21-24. DOI: 10.1016/j.matpr.2019.02.208 WOS Scopus РИНЦ
The Influence of A- and B-Cation Substitution on Electronic Structure of SrFeO3 and SrCoO3
Materials Today: Proceedings. 2019. V.12. P.21-24. DOI: 10.1016/j.matpr.2019.02.208 WOS Scopus РИНЦ
Даты:
Опубликована в печати: | 1 янв. 2019 г. |
Опубликована online: | 20 мая 2019 г. |
Идентификаторы БД:
Web of science | WOS:000468318500006 |
Scopus | 2-s2.0-85080126076 |
РИНЦ | 43253945 |
Chemical Abstracts | 2019:1838242 |
OpenAlex | W2946786505 |