Abstract
A method is proposed that combines self-consistent solutions for a monovacancy in metal without regard to the outer surface and the solution in the stable jelly model for metal with homogeneous volume and flat surface, but a lowered vacancy density due to the presence of a superlattice of vacancy voids with relative concentration c v . When using c v as a small parameter, all energy characteristics are expanded in a functional series. Zero expansion terms relate to defect-free metal, and linear in c v corrections are expressed in terms of its characteristics. Exact formulas allowing the consideration of the effect of vacancies on the electron and positron work function are derived. Characteristics are calculated at various temperatures for Al and Na by the Kohn–Sham method. The method application to spherical clusters is briefly discussed.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
J. Frenkel, Kinetic Theory of Liquids (Dover, New York, 1955; Academy of Sciences of the USSR, Moscow, 1959).
R. S. Berry and B. M. Smirnov, J. Exp. Theor. Phys. 98 (2), 366 (2004); R. S. Berry and B. M. Smirnov, Phys. Rep. 527, 205 (2013).
A. V. Babich, P. V. Vakula, and V. V. Pogosov, Phys. Solid State 56 (5), 873 (2014).
A. V. Babich, P. V. Vakula, and V. V. Pogosov, Phys. Solid State 56 (9), 1726 (2014).
J. P. Perdew, H. Q. Tran, and E. D. Smith, Phys. Rev. B: Condens. Matter 42, 11627 (1990).
V. V. Pogosov, Solid State Commun. 89, 1017 (1994).
I. T. Iakubov and V. V. Pogosov, Physica A (Amsterdam) 214, 287 (1995); A. Kiejna and V. V. Pogosov, J. Phys.: Condens. Matter 8, 4245 (1996).
N. D. Drummond, P. Lopez Rios, R. J. Needs, and C. J. Pickard, Phys. Rev. Lett. 107, 207402 (2011).
Y. Kraftmakher, Phys. Rep. 299, 79 (1998); C. Freysoldt, B. Grabowski, T. Hickel, J. Neugebauer, G. Kresse, A. Janotti, and C. G. Van de Walle, Rev. Mod. Phys. 86, 253 (2014).
M. V. Shtremel’, Strength of Alloys: Part 1. Lattice Defects (Metallurgiya, Moscow, 1982) [in Russian].
E. M. Gullikson and A. P. Mills, Phys. Rev. B: Condens. Matter 35, 8759 (1987).
A. V. Babich, V. V. Pogosov, and V. I. Reva, Phys. Solid State 57 (11), 2135 (2015).
Author information
Authors and Affiliations
Corresponding author
Additional information
Original Russian Text © V.V. Pogosov, 2017, published in Fizika Tverdogo Tela, 2017, Vol. 59, No. 6, pp. 1051–1055.
Rights and permissions
About this article
Cite this article
Pogosov, V.V. Method for determining the electron and positron work function from a metal containing vacancies. Phys. Solid State 59, 1071–1075 (2017). https://doi.org/10.1134/S106378341706021X
Received:
Published:
Issue Date:
DOI: https://doi.org/10.1134/S106378341706021X