Abstract
The Bloch enhancement factor α(k f ) of the electric field gradient has been evaluated for the half-filledd-core Fe host metal and completely filledd-core Cu host metal in single orthogonalized plane wave (OPW) approximation. For this purpose the radially-dependent antishielding factors,γ(r) have been calculated in non-orthogonal Hartree-Fock perturbation theory (NHFPT). The results show that the contributions of antishielding to α(k f ) from the plane wave-plane wave part and the core part of the OPW state are individually large but opposite in sign and thereby lead to partial cancellation. The net effect of antishielding on α(k f ) is found to be − 5.6% in Fe and 14% in Cu.
Similar content being viewed by others
References
Alfred L C R and Van Ostenburg D O 1967Phys. Lett. A26 27
Blandin A and Friedel J 1960J. Phys. Radium 21 689
Callaway J 1974Quantum theory of the solid state (New York: Academic Press) p. 313
Clemeniti E 1965Tables of Atomic Functions (New York: IBM)
Foley H M, Sternheimer R M and Tycko D 1954Phys. Rev. 93 734
Fukai Y 1971Phvs. Lett. A34 425
Fukai Y and Watanabe K 1970Phys. Rev. B2 2357
Fukai Y and Watanabe K 1974Phys. Rev. B10 3015
Hartree D R and Hartree W 1936Proc. R. Soc. (London) A157 490
Holtham P M and Jena P 1974J. Phys. F5 1649
Jackson J D 1967Classical electrodynamics (New York: John Wiley) p. 68
Kohn W and Vosko S H 1960Phys. Rev. 119 812
Messiah A 1965Quantum mechanics (New York: John Wiley) Vol. II p. 1057
Rao K K P and Mohapatra N C 1981Phys. Rev. A24 10
Sternheimer R M 1950Phys. Rev. 80 102
Sternheimer R M and Foley H M 1956Phys. Rev. 102 731
Tinkham M 1964Group theory and quantum-mechanics (New York: McGraw-Hill) p. 175
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Tripathi, P., Mohapatra, N.C. Bloch enhancement of electric field gradient in Fe and Cu host alloys. Pramana - J Phys 37, 513–524 (1991). https://doi.org/10.1007/BF02846782
Received:
Issue Date:
DOI: https://doi.org/10.1007/BF02846782