КФУ. Карточка публикации. Defect charging and resonant levels in half-Heusler Nb1−xTixFeSb

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DEFECT CHARGING AND RESONANT LEVELS IN HALF-HEUSLER NB1−XTIXFESB

Форма представления

Иные электронные образовательные ресурсы

Год публикации

2020

Язык

английский

Авторы, сотрудники КФУ

Вагизов Фарит Габдулхакович, автор

Другие авторы

Ghassemi Nader , автор

Ren Wuyang , автор

Ren Zhifeng , автор

Ross Joseph H. , автор

Tian Yefan , автор

Wang Zhiming , автор

Zhu Hangtian , автор

Библиографическое описание на языке оригинала

Defect charging and resonant levels in half-Heusler Nb1−xTixFeSb / Y Tian, F G. Vagizov, N Ghassemi [at al.] // arxiv.org. - 2020. - P. 1-10. - https://arxiv.org/abs/1912.09643.pdf.

Аннотация

We report Nb and Sb NMR and J Fe Mdssbauer studies combined with DFT calculations of Nbi-arTixFeSb (0 ^ x ^ 0.3), one of the most promising thermoelectric systems for applications above 1000 K. These studies provide local information about defects and electronic configurations in these heavily p-type materials. The NMR spin-lattice relaxation rate provides a measure of states within the valence band. With increasing x, changes of relaxation rate vs carrier concentration for different substitution fractions indicate the importance of resonant levels which do not contribute to charge transport. The local paramagnetic susceptibility is significantly larger than expected based on DFT calculations, which we discuss in terms of an enhancement of the susceptibility due to a Coulomb enhancement mechanism. The Mossbauer spectra of Ti-substituted samples show small departures from a binomial distribution of substituted atoms, while for unsubstituted p-type NbFeSb, the amplitude of a Mossbauer satellite peak increases vs temperature, a measure of the T-dependent charging of a population of defects residing about 30 meV above the valence band edge, indicative of an impurity band at this location.

Ключевые слова

Mossbauer spectroscopy, NMR, half-Heusler allows, defect charging

Ссылка для РПД

http://dspace.kpfu.ru/xmlui/bitstream/handle/net/158969/F_Vagizov_arxiv_Defect_charging.pdf?sequence=1&isAllowed=y

URL

https://arxiv.org/abs/1912.09643.pdf

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https://repository.kpfu.ru/?p_id=234683

Файлы ресурса

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F_Vagizov_arxiv_Defect_charging.pdf	1,03	pdf	посмотреть / скачать

Полная запись метаданных

Поле DC	Значение	Язык
dc.contributor.author	Вагизов Фарит Габдулхакович	ru_RU
dc.contributor.author	Ghassemi Nader	ru_RU
dc.contributor.author	Ren Wuyang	ru_RU
dc.contributor.author	Ren Zhifeng	ru_RU
dc.contributor.author	Ross Joseph H.	ru_RU
dc.contributor.author	Tian Yefan	ru_RU
dc.contributor.author	Wang Zhiming	ru_RU
dc.contributor.author	Zhu Hangtian	ru_RU
dc.date.accessioned	2020-01-01T00:00:00Z	ru_RU
dc.date.available	2020-01-01T00:00:00Z	ru_RU
dc.date.issued	2020	ru_RU
dc.identifier.citation	Defect charging and resonant levels in half-Heusler Nb1−xTixFeSb / Y Tian, F G. Vagizov, N Ghassemi [at al.] // arxiv.org. - 2020. - P. 1-10. - https://arxiv.org/abs/1912.09643.pdf.	ru_RU
dc.identifier.uri	https://repository.kpfu.ru/?p_id=234683	ru_RU
dc.description.abstract	We report Nb and Sb NMR and J Fe Mdssbauer studies combined with DFT calculations of Nbi-arTixFeSb (0 ^ x ^ 0.3), one of the most promising thermoelectric systems for applications above 1000 K. These studies provide local information about defects and electronic configurations in these heavily p-type materials. The NMR spin-lattice relaxation rate provides a measure of states within the valence band. With increasing x, changes of relaxation rate vs carrier concentration for different substitution fractions indicate the importance of resonant levels which do not contribute to charge transport. The local paramagnetic susceptibility is significantly larger than expected based on DFT calculations, which we discuss in terms of an enhancement of the susceptibility due to a Coulomb enhancement mechanism. The Mossbauer spectra of Ti-substituted samples show small departures from a binomial distribution of substituted atoms, while for unsubstituted p-type NbFeSb, the amplitude of a Mossbauer satellite peak increases vs temperature, a measure of the T-dependent charging of a population of defects residing about 30 meV above the valence band edge, indicative of an impurity band at this location.	ru_RU
dc.language.iso	ru	ru_RU
dc.subject	Mossbauer spectroscopy	ru_RU
dc.subject	NMR	ru_RU
dc.subject	half-Heusler allows	ru_RU
dc.subject	defect charging	ru_RU
dc.subject	Mossbauer spectroscopy	ru_RU
dc.subject	NMR	ru_RU
dc.subject	half-Heusler allows	ru_RU
dc.subject	defect charging	ru_RU
dc.title	Defect charging and resonant levels in half-Heusler Nb1−xTixFeSb	ru_RU
dc.type	Иные электронные образовательные ресурсы	ru_RU