KFU. Card publication. Vibrational properties and magnetic specific heat of the covalent chain antiferromagnet RbFeSe2

KAZAN
FEDERAL UNIVERSITY

- RUS
- 中文
- ES

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

Form of presentation

Articles in international journals and collections

Year of publication

2018

��

��

Authors, employees of KFU

Vagizov Farit Gabdulkhakovich, author

Bibliographic description in the original language

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

Annotation

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.

Keywords

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

The name of the journal

PHYS REV B

URL

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

Please use this ID to quote from or refer to the card

https://repository.kpfu.ru/eng/?p_id=191839&p_lang=2

Full metadata record

Field DC	Value	Language
dc.contributor.author	Vagizov Farit Gabdulkhakovich	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/eng/?p_id=191839&p_lang=2	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	Articles in international journals and collections	ru_RU