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Renormalisation of hydrogen transfer integrals in niobium and tantalum

Published under licence by IOP Publishing Ltd
, , Citation H Teichler 1986 J. Phys. F: Met. Phys. 16 1399 DOI 10.1088/0305-4608/16/10/009

0305-4608/16/10/1399

Abstract

The renormalisation of the hydrogen transfer integrals in niobium and tantalum due to the displacement clouds dressing the particles is investigated quantitatively. An auxiliary matrix tau (T) is introduced and values of its elements are presented, which permits evaluation of the renormalisation parameter S(T) once the self-trapping displacements around the hydrogen impurities are known. Estimates are given of S(T) for self-trapped H (and D) in Nb and Ta. A microscopic model is described for treating H trapped at O impurities in Nb and the renormalisation parameter is extracted for this case.

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10.1088/0305-4608/16/10/009