Abstract
Within the framework of the Willis−Harrison model, the effect of taking into account d−d-electron couplings nondiagonal in the magnetic quantum number between the neighboring atoms in a transition metal on the partial pair potentials and the free energy of mixing of an Fe–Co liquid alloy near the melting temperature is investigated. It is found that an increase in the fraction of nondiagonal couplings results in a decrease in the depth of the first minimum of the partial pair potentials and in the displacement of its position towards larger r. It is shown that taking this factor into account considerably improves the agreement with experimental data of the concentration dependence of the free energy of mixing of the system under consideration.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
N. E. Dubinin, N. A. Vatolin, and V. V. Filippov, Rus. Chem. Rev. 83, 987 (2014).
L. D. Son, R. E. Ryltsev, and V. E. Sidorov, J. Non-Cryst. Solids 353, 3722 (2007).
R. E. Ryltsev and L. D. Son, Physica B 406, 3625 (2011).
T. V. Kulikova, A. V. Mayorova, K. Yu. Shunyaev, and R. E. Ryltsev, Physica B 466–467, 90 (2015).
J. M. Wills and W. A. Harrison, Phys. Rev. B 28, 4363 (1983).
C. Hausleitner and J. Hafner, J. Phys. F: Met. Phys. 18, 1025 (1988).
N. E. Dubinin, L. D. Son, and N. A. Vatolin, J. Phys.: Condens. Matter 20, 114111 (2008).
N. E. Dubinin, J. Phys.: Conf. Series 144, 012115 (2009).
N. E. Dubinin, J. Phys.: Conf. Series 338, 012004 (2012).
J. L. Bretonnet and M. Silbert, Phys. Chem. Liquid 24, 169 (1992).
N. E. Dubinin, L. D. Son, and N. A. Vatolin, Defect and Diffusion Forum 263, 105 (2007).
P. Vashishta and K. Singwi, Phys. Rev. B 6, 875 (1972).
N. Jakse and J. L. Bretonnet, J. Phys.: Condens. Matter 7, 3803 (1995).
Y. Waseda, The Structure of Non-Crystalline Materials (McGraw-Hill, New York, 1980).
R. R. Hultgren, P. D. Desai, D. T. Hawkins, M. Gleiser, K. K. Kelley, and D. D. Wagman, Selected Values of the Thermodynamic Properties of the Elements and Binary Alloys (Am. Soc. Met., Ohio, 1973).
Author information
Authors and Affiliations
Corresponding author
Additional information
Original Russian Text © N.E. Dubinin, N.A. Vatolin, 2016, published in Doklady Akademii Nauk, 2016, Vol. 471, No. 1, pp. 28–31.
Rights and permissions
About this article
Cite this article
Dubinin, N.E., Vatolin, N.A. Free energy of mixing of an Fe–Co liquid alloy taking into account nondiagonal d−d-electron coupling in the framework of the Willis−Harrison model. Dokl. Phys. 61, 527–530 (2016). https://doi.org/10.1134/S1028335816110033
Received:
Published:
Issue Date:
DOI: https://doi.org/10.1134/S1028335816110033