Nonlinear, Self-Consistent Theory of Proton Screening in Metals Applied to Hydrogen in Al and Mg

Z. D. Popovic; M. J. Stott

doi:10.1103/PhysRevLett.33.1164

Nonlinear, Self-Consistent Theory of Proton Screening in Metals Applied to Hydrogen in Al and Mg

Z. D. Popovic and M. J. Stott

Phys. Rev. Lett. 33, 1164 – Published 4 November 1974

Abstract

The density-functional formalism has been used to treat self-consistently the nonlinear screening of a proton in an electron gas. The results have been used to calculate activation energies for diffusion of hydrogen in Al and Mg. The theory is in good agreement with experimental results which are only available for Al. Hydrogen-vacancy trapping has also been investigated and was found to be a distinct possibility in the case of Al.

Received 20 August 1974

DOI:https://doi.org/10.1103/PhysRevLett.33.1164

Authors & Affiliations

Z. D. Popovic^*

Department of Metallurgy and Materials Science, McMaster University, Hamilton, Ontario

M. J. Stott

Department of Physics, Queen's University, Kingston, Ontario

^*International Nickel Company of Canada Graduate Research Fellow. Present address: Xerox Research Centre of Canada Limited, 2480 Donwin Drive, Mississauga, Ontario L5L 1J9, Canada.