KFU. Card publication. DFT and Mossbauer Spectroscopy Study of a FeTe0.5Se0.5 Single Crystal

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DFT AND MOSSBAUER SPECTROSCOPY STUDY OF A FETE0.5SE0.5 SINGLE CRYSTAL

Form of presentation

Articles in Russian journals and collections

Year of publication

2019

Язык

английский

Authors, employees of KFU

Vagizov Farit Gabdulkhakovich, author

Kiyamov Ayrat Gazinurovich, author

Tagirov Lenar Rafgatovich, author

Tayurskiy Dmitriy Albertovich, author

Bibliographic description in the original language

Kiiamov A. G., Tayurskii D. A., Vagizov F. G., DFT and Mossbauer Spectroscopy Study of a FeTe0.5Se0.5 Single Crystal//JETP LETTERS. - 2019. - Vol.109, Is.4. - P.266-269.

Annotation

The iron based superconductor FeSe0.5Te0.5 has been studied applying Mössbauer spectroscopy and ab initio density functional theory calculations of hyperfine parameters of iron nuclei. It has been shown that the presence of interstitial iron atoms leads to dividing of iron atoms in the compound into three groups with different hyperfine parameters. The experimental room-temperature Mössbauer spectrum has been well described within a three-group model, based on the results of ab initio calculations. The low-temperature Mössbauer spectrum has been described by a set of magnetic sextets, characterized by a distribution of hyperfine fields on 57Fe nuclei. The latter is compatible with an incommensurate spin-density wave phase, which coexists with superconductivity as it was observed also in other iron-based superconductors.

Keywords

iron-based superconductors, charge density distribution, Mossbauer effect, distribution of hyperfine fields, incommensurate spin-density waves

The name of the journal

JETP Letters

URL

https://link.springer.com/article/10.1134%2FS0021364019040027

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

https://repository.kpfu.ru/eng/?p_id=202452&p_lang=2

Resource files

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F_DFT_and_Mossbauer_spectroscopy_study_of_FeTe0.5Se0.5_single_crystal.pdf	0,23	pdf	show / download

Full metadata record

Field DC	Value	Language
dc.contributor.author	Vagizov Farit Gabdulkhakovich	ru_RU
dc.contributor.author	Kiyamov Ayrat Gazinurovich	ru_RU
dc.contributor.author	Tagirov Lenar Rafgatovich	ru_RU
dc.contributor.author	Tayurskiy Dmitriy Albertovich	ru_RU
dc.date.accessioned	2019-01-01T00:00:00Z	ru_RU
dc.date.available	2019-01-01T00:00:00Z	ru_RU
dc.date.issued	2019	ru_RU
dc.identifier.citation	Kiiamov A. G., Tayurskii D. A., Vagizov F. G., DFT and Mossbauer Spectroscopy Study of a FeTe0.5Se0.5 Single Crystal//JETP LETTERS. - 2019. - Vol.109, Is.4. - P.266-269.	ru_RU
dc.identifier.uri	https://repository.kpfu.ru/eng/?p_id=202452&p_lang=2	ru_RU
dc.description.abstract	JETP Letters	ru_RU
dc.description.abstract	The iron based superconductor FeSe0.5Te0.5 has been studied applying Mössbauer spectroscopy and ab initio density functional theory calculations of hyperfine parameters of iron nuclei. It has been shown that the presence of interstitial iron atoms leads to dividing of iron atoms in the compound into three groups with different hyperfine parameters. The experimental room-temperature Mössbauer spectrum has been well described within a three-group model, based on the results of ab initio calculations. The low-temperature Mössbauer spectrum has been described by a set of magnetic sextets, characterized by a distribution of hyperfine fields on 57Fe nuclei. The latter is compatible with an incommensurate spin-density wave phase, which coexists with superconductivity as it was observed also in other iron-based superconductors.	ru_RU
dc.language.iso	ru	ru_RU
dc.subject	iron-based superconductors	ru_RU
dc.subject	charge density distribution	ru_RU
dc.subject	Mossbauer effect	ru_RU
dc.subject	distribution of hyperfine fields	ru_RU
dc.subject	incommensurate spin-density waves	ru_RU
dc.title	DFT and Mossbauer Spectroscopy Study of a FeTe0.5Se0.5 Single Crystal	ru_RU
dc.type	Articles in Russian journals and collections	ru_RU