КФУ. Карточка публикации. Origin of electron disproportionation in metallic sodium cobaltates

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ORIGIN OF ELECTRON DISPROPORTIONATION IN METALLIC SODIUM COBALTATES

Форма представления

Статьи в зарубежных журналах и сборниках

Год публикации

2016

Язык

английский

Авторы, сотрудники КФУ

Кривенко Сергей Александрович, автор

Лысогорский Юрий Вячеславович, автор

Мухамедшин Ирек Рафкатович, автор

Недопекин Олег Владимирович, автор

Таюрский Дмитрий Альбертович, автор

Библиографическое описание на языке оригинала

Lysogorskiy, Y. V. Origin of electron disproportionation in metallic sodium cobaltates / Y. V. Lysogorskiy, S. A. Krivenko, I. R. Mukhamedshin, O. V. Nedopekin, D. A. Tayurskii // Physical Review B. – 2016. – Vol. 94. – № 20. – P. 205138.

Аннотация

Recently, an unusual metallic state with a substantially nonuniform distribution of the charge and magnetic density in CoO2 planes was found experimentally in the NaxCoO2 compound with x>0.6. We have investigated the origin of such an electron disproportionation in the lamellar sodium cobaltates by calculating the ion states as a function of the strength of the electron correlations in the d(Co) shells within the GGA+U approximation for a system with a realistic crystal structure. It was found that the nonuniformity of spin and charge densities are induced by an ordering of the sodium cations and enhanced correlations. Two important magnetic states of cobalt lattice competing with each other at realistic values of the correlation parameter were found—low-spin hexagons lattice (LS) and higher-spin kagome lattice (HS-KSL). In the heterogeneous metallic HS-KSL phase, magnetic Co ions form a kagome structure. In LS phase, the kagome pattern is decomposed into hexagons and the Co ions posse

Ключевые слова

ab initio, cobaltates, magnetic order

Название журнала

Physical Review B - Condensed Matter and Materials Physics

Ссылка для РПД

http://dspace.kpfu.ru/xmlui/bitstream/handle/net/108313/10.1103_PhysRevB.94.205138.pdf?sequence=1&isAllowed=y

URL

http://journals.aps.org/prb/abstract/10.1103/PhysRevB.94.205138

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https://repository.kpfu.ru/?p_id=145020

Файлы ресурса

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10.1103_PhysRevB.94.205138.pdf	0,32	pdf	посмотреть / скачать

Полная запись метаданных

Поле DC	Значение	Язык
dc.contributor.author	Кривенко Сергей Александрович	ru_RU
dc.contributor.author	Лысогорский Юрий Вячеславович	ru_RU
dc.contributor.author	Мухамедшин Ирек Рафкатович	ru_RU
dc.contributor.author	Недопекин Олег Владимирович	ru_RU
dc.contributor.author	Таюрский Дмитрий Альбертович	ru_RU
dc.date.accessioned	2016-01-01T00:00:00Z	ru_RU
dc.date.available	2016-01-01T00:00:00Z	ru_RU
dc.date.issued	2016	ru_RU
dc.identifier.citation	Lysogorskiy, Y. V. Origin of electron disproportionation in metallic sodium cobaltates / Y. V. Lysogorskiy, S. A. Krivenko, I. R. Mukhamedshin, O. V. Nedopekin, D. A. Tayurskii // Physical Review B. – 2016. – Vol. 94. – № 20. – P. 205138.	ru_RU
dc.identifier.uri	https://repository.kpfu.ru/?p_id=145020	ru_RU
dc.description.abstract	Physical Review B - Condensed Matter and Materials Physics	ru_RU
dc.description.abstract	Recently, an unusual metallic state with a substantially nonuniform distribution of the charge and magnetic density in CoO2 planes was found experimentally in the NaxCoO2 compound with x>0.6. We have investigated the origin of such an electron disproportionation in the lamellar sodium cobaltates by calculating the ion states as a function of the strength of the electron correlations in the d(Co) shells within the GGA+U approximation for a system with a realistic crystal structure. It was found that the nonuniformity of spin and charge densities are induced by an ordering of the sodium cations and enhanced correlations. Two important magnetic states of cobalt lattice competing with each other at realistic values of the correlation parameter were found—low-spin hexagons lattice (LS) and higher-spin kagome lattice (HS-KSL). In the heterogeneous metallic HS-KSL phase, magnetic Co ions form a kagome structure. In LS phase, the kagome pattern is decomposed into hexagons and the Co ions posse	ru_RU
dc.language.iso	ru	ru_RU
dc.subject	ab initio	ru_RU
dc.subject	cobaltates	ru_RU
dc.subject	magnetic order	ru_RU
dc.title	Origin of electron disproportionation in metallic sodium cobaltates	ru_RU
dc.type	Статьи в зарубежных журналах и сборниках	ru_RU