The influence of A- And B-cation substitution on electronic structure of SrFeO3 and SrCoO3. / Gainutdinov, I. I.; Nemudry, A. P.; Zilberberg, I. L.
In: Materials Today: Proceedings, Vol. 12, 2019, p. 21-24.Research output: Contribution to journal › Conference article › peer-review
}
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
UR - http://www.scopus.com/inward/record.url?scp=85080126076&partnerID=8YFLogxK
U2 - 10.1016/j.matpr.2019.02.208
DO - 10.1016/j.matpr.2019.02.208
M3 - Conference article
AN - SCOPUS:85080126076
VL - 12
SP - 21
EP - 24
JO - Materials Today: Proceedings
JF - Materials Today: Proceedings
SN - 2214-7853
T2 - 5th International Conference on Fundamental Bases of Mechanochemical Technologies, FBMT 2018
Y2 - 25 June 2018 through 28 June 2018
ER -
ID: 25403216