Electric-field gradients at the Zr sites in Zr/sub 3/Fe : measured using perturbed-angular-correlation spectroscopy and calculated using band theory
dc.contributor.author | Motta, Arthur T. | pt_BR |
dc.contributor.author | Cumblidge, Stephen E. | pt_BR |
dc.contributor.author | Catchen, Gary L. | pt_BR |
dc.contributor.author | Legoas, Sergio B. | pt_BR |
dc.contributor.author | Paesano Junior, Andrea | pt_BR |
dc.contributor.author | Amaral, Livio | pt_BR |
dc.date.accessioned | 2014-09-26T02:10:55Z | pt_BR |
dc.date.issued | 2002 | pt_BR |
dc.identifier.issn | 1098-0121 | pt_BR |
dc.identifier.uri | http://hdl.handle.net/10183/103858 | pt_BR |
dc.description.abstract | We have measured the electric-field-gradient (EFG) parameters Vzz and η and their temperature dependences at the two Zr sites in the intermetallic compound Zr₃Fe using perturbed-angular-correlation spectroscopy and the probe ¹⁸¹Hf→¹⁸¹Ta. At temperatures below the peritectic transformation at ≈1158 K, at each Zr site, we observed well-defined EFG’s, characterized by sharp spectral lines. A high-frequency, very asymmetric nuclear electric-quadrupole interaction characterizes the first Zr site, which represents approximately one-third of the probes. A low-frequency, nearly axially symmetric nuclear electric-quadrupole interaction characterizes the second Zr site, which represents approximately two-thirds of the probes. Near and above the peritectic transformation, the results show the effects of the decomposition of Zr₃Fe into Zr and Zr₂Fe and subsequent melting. We have compared the values of Vzz and h measured at laboratory temperature to those calculated using the first-principles, self-consistent real-space linear muffin-tin atomic sphere approximation (RS-LMTOASA) band-theory method. Overall the magnitudes of Vzz and η calculated using the RS-LMTO-ASA method agree reasonably well with the experimental values. | en |
dc.format.mimetype | application/pdf | |
dc.language.iso | eng | pt_BR |
dc.relation.ispartof | Physical review. B, Condensed matter and materials physics. Woodbury. Vol. 65, no. 1 (Jan. 2002), 014115 5p. | pt_BR |
dc.rights | Open Access | en |
dc.subject | Estruturas de bandas | pt_BR |
dc.subject | Gradiente de campo elétrico | pt_BR |
dc.subject | Ligas de ferro | pt_BR |
dc.subject | Correlacao angular perturbada | pt_BR |
dc.subject | Ligas de zircônio | pt_BR |
dc.title | Electric-field gradients at the Zr sites in Zr/sub 3/Fe : measured using perturbed-angular-correlation spectroscopy and calculated using band theory | pt_BR |
dc.type | Artigo de periódico | pt_BR |
dc.identifier.nrb | 000309616 | pt_BR |
dc.type.origin | Estrangeiro | pt_BR |
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