Abstract
Ashcroft’s empty core pseudopotential is applied to the substitutional alloy (K-CS) to calculate the heat of formation and lattice parameter over the entire concentration range. At any concentration the defect crystal is considered to be equivalent to a perfect crystal with a modified lattice parameter and the potential parameter for the defect crystal is calculated by using some suitable interpolation formula. The calculated results agree well with the available experimental results.
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Das, S.K., Roy, D. Pseudopotential study of lattice parameter and heat of formation for substitutional alloys. Pramana - J Phys 15, 495–499 (1980). https://doi.org/10.1007/BF02847887
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DOI: https://doi.org/10.1007/BF02847887