Abstract

We show the calculation of the monovacancy formation energy ( v FH E1 ) for three different group-I monovalent fcc metals (Cu, Ag and Au) and two group-IV tetravalent fcc metals (Pb and Th) use a pseudopotential approach. Ashcroft's empty core model potential (AECMP) and nine different exchange and correlation functions (ECF) are used. The variation of v FH E1 with the parameter c r of AECMP for different ECF shows variations with the metals, and c r is observed to be greater than Bohr radius.

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