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Defect charging and resonant levels in half-Heusler Nb1-xTixFeSb

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dc.contributor Казанский федеральный университет
dc.contributor.author Tian Yefan
dc.contributor.author Vagizov Farit Gabdulhakovich
dc.contributor.author Ghassemi Nader
dc.contributor.author Ren Wuyang
dc.contributor.author Zhu Hangtian
dc.contributor.author Wang Zhiming
dc.contributor.author Ren Zhifeng
dc.contributor.author Ross Joseph H.
dc.date.accessioned 2020-06-29T08:44:22Z
dc.date.available 2020-06-29T08:44:22Z
dc.date.issued 2020
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.
dc.identifier.uri https://dspace.kpfu.ru/xmlui/handle/net/158969
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.
dc.language.iso en
dc.rights только для КФУ
dc.subject Mossbauer spectroscopy
dc.subject NMR
dc.subject half-Heusler allows
dc.subject defect charging
dc.subject.other Физика
dc.title Defect charging and resonant levels in half-Heusler Nb1-xTixFeSb
dc.type Other
dc.contributor.org Химический институт им. А.М. Бутлерова
dc.description.pages 10
dc.pub-id 234683


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