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Nikita A. Afimchenko

Institute of Solid State Chemistry and Mechanochemistry SB RAS

Kutateladze-street, 18, Novosibirsk 630090, Russia

Novosibirsk, 630090

Russia

  • Institute of Solid State Chemistry and Mechanochemistry SB RAS

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Unraveling the “O-” electron state in perovskites on the example of SrFeO3 by means of plane-wave DFT

Number of pages: 21 Posted: 18 Dec 2025
Nikita A. Afimchenko, Aleksandr A. Shubin, Igor L. Zilberberg and Alexander P. Nemudry
Institute of Solid State Chemistry and Mechanochemistry SB RAS, Institute of Solid State Chemistry and Mechanochemistry SB RAS, Institute of Solid State Chemistry and Mechanochemistry SB RAS and Institute of Solid State Chemistry and Mechanochemistry SB RAS
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strontium ferritesuperoxo and peroxo group on the surfacenegative charge-transfer energyplane-wave DFT