Abstract
A new method to calculate the lattice contribution to electric field gradients at a nuclear site in tetragonal crystals is developed. The crystal is regarded as an assembly of positive ions at lattice points embedded in a uniform background of negative charge (point charge model). The method uses Euler-Maclaurin formula and makes the plane-wise summation in the direct crystal space unlike most of the previous methods utilising Fourier transform to reciprocal space. The numerical values obtained using the above approach agree well with previous results.
Similar content being viewed by others
References
Christiansen J, Heubes P, Keitel R, Klinger W, Loeffler W, Sandner W and Witthuhn W 1976Z. Phys. B24 177
Das T P and Pomerantz M 1961Phys. Rev. 123 2070
de Wette F W 1961Phys. Rev. 123 103
de Wette F W and Schacher G E 1965Phys. Rev. 137 A78 and A92
Dickmann D B and Schacher G E 1967J. Comput. Phys. 2 87
Ewald P P 1921Ann. Phys. (Leipz). 64 253
Hildebrand F B 1956Introduction to numerical analysis (New Delhi: Tata McGraw-Hill) p. 152
Kaufman E N and Vianden R J 1979Rev. Mod. Phys. 51 161
Nijboer B R A and de Wette F W 1957Physica 23 309
Nijboer B R A and de Wette F W 1958Physica 24 422
Raghavan P, Kaufman E N, Raghavan R S, Ansaldo E J and Naumahn R A 1976Phys. Rev. B13 2835
Simmons W W and Slichter C P 1961Phys. Rev. 121 1580
Sternheimer R M 1954Phys. Rev. 95 736
Sternheimer R M 1954aPhys. Rev. 96 951
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Verma, D.P., Yadav, A. & Verma, H.C. Lattice sum of electric field gradients in tetragonal crystals. Pramana - J. Phys. 21, 357–367 (1983). https://doi.org/10.1007/BF02846836
Received:
Revised:
Issue Date:
DOI: https://doi.org/10.1007/BF02846836