Abstract
In this work we apply the recently developed real space scheme based on the recursion method and the LMTO-ASA formatism to investigate the dominant p valence contribution to the distribution of electric field gradient at the nucleus (EFG) in amorphons metals. The Zr eluster was obtained by random packing of spheres with periodic boundary conditions. We find that the distribution of EFG is over positive and negative values and has a gap around zero.
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Petrilli, H.M., Frota-Pessôa, S. Distribution of electric field gradient at the nucleus for a cluster of amorphous Zr. Hyperfine Interact 60, 643–646 (1990). https://doi.org/10.1007/BF02399835
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DOI: https://doi.org/10.1007/BF02399835