The influence of A- And B-cation substitution on electronic structure of SrFeO3 and SrCoO3

I. I. Gainutdinov; A. P. Nemudry; I. L. Zilberberg

doi:10.1016/j.matpr.2019.02.208

The influence of A- And B-cation substitution on electronic structure of SrFeO₃ and SrCoO₃

I. I. Gainutdinov, A. P. Nemudry, I. L. Zilberberg

Результат исследования: Научные публикации в периодических изданиях › статья по материалам конференции

1 Цитирования (Scopus)

Аннотация

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.

Язык оригинала	английский
Страницы (с-по)	21-24
Число страниц	4
Журнал	Materials Today: Proceedings
Том	12
DOI	https://doi.org/10.1016/j.matpr.2019.02.208
Состояние	Опубликовано - 2019
Опубликовано для внешнего пользования	Да
Событие	5th International Conference on Fundamental Bases of Mechanochemical Technologies, FBMT 2018 - Novosibirsk, Российская Федерация Продолжительность: 25 июн 2018 → 28 июн 2018

Доступ к документу

10.1016/j.matpr.2019.02.208

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title = "The influence of A- And B-cation substitution on electronic structure of SrFeO3 and SrCoO3",

abstract = "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.",

keywords = "Density functional theory, Electronic structure, Oxides, Perovskites, perovskites, OXYGEN PERMEABILITY, oxides, STABILITY, density functional theory, electronic structure, ELECTROCHEMICAL REDOX REACTIONS",

author = "Gainutdinov, {I. I.} and Nemudry, {A. P.} and Zilberberg, {I. L.}",

year = "2019",

doi = "10.1016/j.matpr.2019.02.208",

language = "English",

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pages = "21--24",

journal = "Materials Today: Proceedings",

issn = "2214-7853",

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note = "5th International Conference on Fundamental Bases of Mechanochemical Technologies, FBMT 2018 ; Conference date: 25-06-2018 Through 28-06-2018",

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The influence of A- And B-cation substitution on electronic structure of SrFeO₃ and SrCoO₃. / Gainutdinov, I. I.; Nemudry, A. P.; Zilberberg, I. L.

В: Materials Today: Proceedings, Том 12, 2019, стр. 21-24.

Результат исследования: Научные публикации в периодических изданиях › статья по материалам конференции

TY - JOUR

T1 - The influence of A- And B-cation substitution on electronic structure of SrFeO3 and SrCoO3

AU - Gainutdinov, I. I.

AU - Nemudry, A. P.

AU - Zilberberg, I. L.

PY - 2019

Y1 - 2019

N2 - 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.

AB - 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.

KW - Density functional theory

KW - Electronic structure

KW - Oxides

KW - Perovskites

KW - perovskites

KW - OXYGEN PERMEABILITY

KW - oxides

KW - STABILITY

KW - density functional theory

KW - electronic structure

KW - ELECTROCHEMICAL REDOX REACTIONS

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DO - 10.1016/j.matpr.2019.02.208

M3 - Conference article

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JO - Materials Today: Proceedings

JF - Materials Today: Proceedings

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