Electric field gradients in simple tetragonal lattice at interstitial site
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Electric field gradient (efg) is calculated at the centre of the cell in the simple tetragonal crystal. The method uses Euler-Maclaurin summation formula and makes the planewise summation in the direct crystal space without any special regrouping of charges in point charge model. The results are in fair agreement with previous results of de Wette on the same system using Fourier transform to reciprocal space.
KeywordsElectric field gradients lattice sum convergence simple tetragonal crystal, Euler-Maclaurin formula double series
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