КФУ. Карточка публикации. Vibrational properties and magnetic specific heat of the covalent chain antiferromagnet RbFeSe2

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VIBRATIONAL PROPERTIES AND MAGNETIC SPECIFIC HEAT OF THE COVALENT CHAIN ANTIFERROMAGNET RBFESE2

Форма представления

Статьи в зарубежных журналах и сборниках

Год публикации

2018

Язык

английский

Авторы, сотрудники КФУ

Вагизов Фарит Габдулхакович, автор

Библиографическое описание на языке оригинала

Kiiamov A.G. Vibrational properties and magnetic specific heat of the covalent chain antiferromagnet RbFeSe2 / A. G. Kiiamov, Y. V. Lysogorskiy, F. G. Vagizov, L. R. Tagirov, D. A. Tayurskii, Z. Seidov, H.-A. Krug von Nidda, V. Tsurkan, D. Croitori, A. Giinther, F. Mayr, A. LoidI // Phys. Rev. B. - 2018. -Vol. 98, No.21. - P.214411-8

Аннотация

The magnetic specific heat of RbFeSe2 and the spin state of Fe3+ ions in the compound have been studied. Phonon dispersion and phonon density of states (PDOS), element specific and total, were evaluated from first-principles calculations. It is shown that iron atoms in quasi-one-dimensional chains have dramatically different vibrational properties against Rb and Se atoms: the Fe PDOS is mostly concentrated within two Einstein-like optical phonon peaks at high frequencies. Analysis of our Mossbauer data for RbFeSe2, utilizing the calculated Fe PDOS as well as our optical absorption measurements, have shown full agreement with the location of the high-frequency optical-type lattice vibrations within the FeSe4 tetrahedra. The calculated PDOS was utilized to evaluate the lattice contribution to the specific heat. The phonon heat capacity has been used to evaluate the magnetic specific heat of the quasi-one-dimensional antiferromagnetically correlated Fe3 ion chains in RbFeSe2.

Ключевые слова

Mossbauer spectroscopy, All-electron density functional calculations, Infrared spectroscopy, Specific heat measurements, Density of states, Electronic structure, Phonons

Название журнала

PHYS REV B

URL

https://journals.aps.org/prb/abstract/10.1103/PhysRevB.98.214411

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https://repository.kpfu.ru/?p_id=191839

Полная запись метаданных

Поле DC	Значение	Язык
dc.contributor.author	Вагизов Фарит Габдулхакович	ru_RU
dc.date.accessioned	2018-01-01T00:00:00Z	ru_RU
dc.date.available	2018-01-01T00:00:00Z	ru_RU
dc.date.issued	2018	ru_RU
dc.identifier.citation	Kiiamov A.G. Vibrational properties and magnetic specific heat of the covalent chain antiferromagnet RbFeSe2 / A. G. Kiiamov, Y. V. Lysogorskiy, F. G. Vagizov, L. R. Tagirov, D. A. Tayurskii, Z. Seidov, H.-A. Krug von Nidda, V. Tsurkan, D. Croitori, A. Giinther, F. Mayr, A. LoidI // Phys. Rev. B. - 2018. -Vol. 98, No.21. - P.214411-8	ru_RU
dc.identifier.uri	https://repository.kpfu.ru/?p_id=191839	ru_RU
dc.description.abstract	PHYS REV B	ru_RU
dc.description.abstract	The magnetic specific heat of RbFeSe2 and the spin state of Fe3+ ions in the compound have been studied. Phonon dispersion and phonon density of states (PDOS), element specific and total, were evaluated from first-principles calculations. It is shown that iron atoms in quasi-one-dimensional chains have dramatically different vibrational properties against Rb and Se atoms: the Fe PDOS is mostly concentrated within two Einstein-like optical phonon peaks at high frequencies. Analysis of our Mossbauer data for RbFeSe2, utilizing the calculated Fe PDOS as well as our optical absorption measurements, have shown full agreement with the location of the high-frequency optical-type lattice vibrations within the FeSe4 tetrahedra. The calculated PDOS was utilized to evaluate the lattice contribution to the specific heat. The phonon heat capacity has been used to evaluate the magnetic specific heat of the quasi-one-dimensional antiferromagnetically correlated Fe3 ion chains in RbFeSe2.	ru_RU
dc.language.iso	ru	ru_RU
dc.subject	Mossbauer spectroscopy	ru_RU
dc.subject	All-electron density functional calculations	ru_RU
dc.subject	Infrared spectroscopy	ru_RU
dc.subject	Specific heat measurements	ru_RU
dc.subject	Density of states	ru_RU
dc.subject	Electronic structure	ru_RU
dc.subject	Phonons	ru_RU
dc.title	Vibrational properties and magnetic specific heat of the covalent chain antiferromagnet RbFeSe2	ru_RU
dc.type	Статьи в зарубежных журналах и сборниках	ru_RU