Electric-field gradients at the Zr sites in Zr/sub 3/Fe : measured using perturbed-angular-correlation spectroscopy and calculated using band theory
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...
| Autores: | , , , , , |
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| Tipo de recurso: | artículo |
| Estado: | Versión publicada |
| Fecha de publicación: | 2002 |
| País: | Brasil |
| Institución: | Universidade Federal do Rio Grande do Sul (UFRGS) |
| Repositorio: | Repositório Institucional da UFRGS |
| Idioma: | inglés |
| OAI Identifier: | oai:www.lume.ufrgs.br:10183/103858 |
| Acceso en línea: | http://hdl.handle.net/10183/103858 |
| Access Level: | acceso abierto |
| Palabra clave: | Estruturas de bandas Gradiente de campo elétrico Ligas de ferro Correlacao angular perturbada Ligas de zircônio |
| Sumario: | 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. |
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