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Taylor, M. A. ; Alonso, R. E. ; Errico, L. A. ; Lopez García, A. ; Presa Muñoz del Toro, Patricia de la ; Svane, A. ; Christensen, N. E. | American Physical Society | 2010-10-14A combination of experiments and ab initio quantum-mechanical calculations has been applied to examine hyperfine interactions in Ta-doped hafnium dioxide. Although the properties of monoclinic HfO? have been the subject of several earlier studie[...]texto impreso
Fabricius, G. ; Peltzer, E. L. ; Rodriguez, Blanca ; Rodriguez, C. R. ; Ayala, A. P. ; Presa Muñoz del Toro, Patricia de la ; Lopez García, A. | American Physical Society | 1997-01-01Electronic structure calculations of cubic SrTiO? and SrHfO? are presented. The full-potential linear augmented-plane-wave method is used and exchange-correlation effects are treated by the local-density approximation. The tendency to ferroelect[...]texto impreso
Lopez García, A. ; Presa Muñoz del Toro, Patricia de la ; Rodriguez,, A. M. ; Saitovitch, H. ; Silva, P. R. J. | American Physical Society | 1993-01-01Samples of BaHfO? were irradiated with fast and thermal neutrons to produce ^181Hf. Attenuations of the gamma-gamma perturbed angular correlations in ^181Ta were observed, and they may have been caused by the interaction between defects (produce[...]texto impreso
Taylor, M.A. ; Alonso, R. E. ; Errico, L. A. ; Lopez García, A. ; Presa Muñoz del Toro, Patricia de la ; Svane, A. ; Christensen, N. E. | American Physical Society | 2012-04-06A combination of experiments and ab initio quantum-mechanical calculations has been applied to examine electronic, structural, and hyperfine interactions in pure and Ta-doped zirconium dioxide in its monoclinic phase (m-ZrO?). From the theoretic[...]
