Dependence of Mono-Vacancy Formation Energy on the Parameter of Ashcroft's Potential

Amitava Ghorai

doi:10.4028/www.scientific.net/DDF.278.25

Paper Titles

Defect Investigation of Plastically Deformed Al 5454 Wrought Alloy Using PADBS and Electrical Measurements
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Activation Enthalpy of Dislocation Migration in Aircraft (Aerospace) (2024) Alloy by Positron Spectroscopy
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Effect of Irradiation Doses on AlCu_6.5 Alloy Using Positron Annihilation Doppler Broadening Technique
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Dependence of Mono-Vacancy Formation Energy on the Parameter of Ashcroft's Potential
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X-Ray Characterization of Ag Impurities in Na_1-xAg_xCl
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Self-Organization Behavior of Sub-Micron CdO Grains Grown during Vapour-Solid Transition
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Studies on the Local Structure and the Spin Hamiltonian Parameters for Co²⁺ in CaTiO₃
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HomeDefect and Diffusion ForumDefect and Diffusion Forum Vol. 278Dependence of Mono-Vacancy Formation Energy on the...

Dependence of Mono-Vacancy Formation Energy on the Parameter of Ashcroft's Potential

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.