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Electric-field gradients at the Zr sites in Zr/sub 3/Fe : measured using perturbed-angular-correlation spectroscopy and calculated using band theory

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Electric-field gradients at the Zr sites in Zr/sub 3/Fe : measured using perturbed-angular-correlation spectroscopy and calculated using band theory

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Título Electric-field gradients at the Zr sites in Zr/sub 3/Fe : measured using perturbed-angular-correlation spectroscopy and calculated using band theory
Autor Motta, Arthur T.
Cumblidge, Stephen E.
Catchen, Gary L.
Legoas, Sergio B.
Paesano Junior, Andrea
Amaral, Livio
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.
Contido em Physical review. B, Condensed matter and materials physics. Woodbury. Vol. 65, no. 1 (Jan. 2002), 014115 5p.
Assunto Correlacao angular perturbada
Estruturas de bandas
Gradiente de campo elétrico
Ligas de ferro
Ligas de zirconio
Origem Estrangeiro
Tipo Artigo de periódico
URI http://hdl.handle.net/10183/103858
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