Abstract
A simple model is used to predict nuclear quadrupole interactions caused by point defects at near-neighbor sites of probe atoms in cubic, metallic hosts. Also predicted are binding energies between the defects and impurity probe atoms. The model assumes that electrostatic interactions predominate over strain interactions. It is critically examined using data for111In/Cd probes next to solute atoms in noble metal hosts, obtained mostly by K. Królas, and next to vacancies in metals and intermetallic phases. The magnitude of quadrupole interactions is found to correlate well with charge transfer between host metal and defect. Charge transfer is taken to be proportional to the difference between work functions of the defect and host elements. Anansatz is proposed for the work function of a vacancy. Good correlations are obtained between experimental and calculated interactions for the generally oversized111In/Cd probe. The charge transfer model is believed to be applicable for other probes that are oversized.
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On the occasion of the 80th birthday of Hendrik de Waard
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Collins, G.S., Zacate, M.O. Charge transfer model for quadrupole interactions and binding energies of point defects with111In/Cd probes in cubic metals. Hyperfine Interact 151, 77–91 (2003). https://doi.org/10.1023/B:HYPE.0000020405.38846.1b
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DOI: https://doi.org/10.1023/B:HYPE.0000020405.38846.1b