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Local structure study of 181Hf dopants in Zr7Ni10 by perturbed angular correlation spectroscopy and first principles calculations
dc.creator | Dey, Sourav Kumar | |
dc.creator | Dey, Chandi Charan | |
dc.creator | Saha, Satyajit | |
dc.creator | Banerjee, Debashis | |
dc.creator | Toprek, Dragan | |
dc.date.accessioned | 2019-05-16T11:11:19Z | |
dc.date.available | 2019-05-16T11:11:19Z | |
dc.date.issued | 2019 | |
dc.identifier.issn | 0304-3843 | |
dc.identifier.issn | 1572-9540 | |
dc.identifier.uri | http://link.springer.com/10.1007/s10751-019-1568-9 | |
dc.identifier.uri | https://vinar.vin.bg.ac.rs/handle/123456789/8104 | |
dc.description.abstract | Intermetallic compound Zr 7 Ni 10 has been studied by perturbed angular correlation (PAC) spectroscopy to determine the electric field gradient and site occupation of Hf dopant in the compound. A mixture of phase components were found in this sample. The component with V zz = 6.6(1)× 10 21 V/m 2 and η = 0.71(1) at room temperature has been assigned to Zr 7 Ni 10 phase. In this sample, Zr 2 Ni 7 and Zr 8 Ni 21 phases were also found to be present along with Zr 7 Ni 10 . No phase transition is observed in the temperature range 77-1073 K in this sample. The electric field gradient (V zz ) for Zr 7 Ni 10 phase was found to decrease linearly with temperature. The phase components in Zr 7 Ni 10 have been determined also from X-ray powder diffraction (XRD) measurement. Theoretical calculations of EFG have been performed in Ta-doped Zr 7 Ni 10 using all electron full potential (linearized) augmented plane wave [FP-(L)APW] method, within the framework of the density functional theory (DFT) to compare the results with the values obtained from PAC measurements and to know the site preference of 181 Ta probe in the host matrix. | en |
dc.language.iso | en | |
dc.relation | Department of Atomic Energy, Government of India [12-RD-SIN-5.02-0102] | |
dc.relation | info:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/171001/RS// | |
dc.rights | restrictedAccess | |
dc.source | Hyperfine Interactions | |
dc.subject | Zr7Ni10 intermetallic alloy | en |
dc.subject | Perturbed angular correlation spectroscopy | en |
dc.subject | X-ray diffraction | en |
dc.subject | ab initio calculations | en |
dc.title | Local structure study of 181Hf dopants in Zr7Ni10 by perturbed angular correlation spectroscopy and first principles calculations | en |
dc.type | article | en |
dc.rights.license | ARR | |
dcterms.abstract | Деy, Цханди Цхаран; Деy, Соурав Кумар; Саха, Сатyајит; Банерјее, Дебасхис; Топрек, Драган; | |
dc.rights.holder | © 2019, Springer Nature Switzerland AG | |
dc.citation.volume | 240 | |
dc.citation.issue | 1 | |
dc.citation.spage | 25 | |
dc.identifier.wos | 000462006500002 | |
dc.identifier.doi | 10.1007/s10751-019-1568-9 | |
dc.description.other | This article is part of the Topical Collection on Proceedings of the International Conference on Hyperfine Interactions and their Applications (HYPERFINE 2019), Goa, India, 10-15 February 2019 | en |
dc.description.other | Erratum: [http://dx.doi.org/10.1007/s10751-019-1613-8] | |
dc.description.other | Erratum 2: [http://dx.doi.org/10.1007/s10751-019-1644-1] | |
dc.type.version | publishedVersion | |
dc.identifier.scopus | 2-s2.0-85063156648 |
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