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Here we calculate the electric field gradient (EFG) at the nucleus of the substitutional Ta impurity site in Zr 2 T and Hf 2 T (T=Cu, Ag, Au, and Pd) C11 b inter-metallic compounds. We use the ab initio FP-LAPW method as embodied in the Wien97 code in a super-cell approach and include lattice relaxations around the impurity. Our results are compared with EFG values inferred...
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