Pseudopotential study of lattice parameter and heat of formation for substitutional alloys |
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| Authors: | S K Das D Roy |
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| Affiliation: | (1) Solid State Physics Research Centre, Presidency College, 700 073 Calcutta, India |
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| 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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| Keywords: | Ashcroft pseudopotential substitutional alloy heat of formation lattice parameter Vegard’ s law |
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