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Inverse Lattice Problem and Finnis-Sinclair Model |
| XIE Qian*;HUANG Meichun |
| Department of Physics, Xiamen University, Xiamen 361005
*Institute of Applied Physics, Beijing University of Science and Technology, Beijing 100083
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| Cite this article: |
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XIE Qian, HUANG Meichun 1995 Chin. Phys. Lett. 12 221-224 |
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Abstract The lattice inversion method is used to construct the pair potential and the hopping integral in Finnis-Sinclair model. In the approach, the lattice sum of square hopping integral is assumed to be an exponential function versus the nearest-neighbour distance, with two parameters determined from the Cauchy discrepancy and the difference of the unrelaxed vacancy-formation energy with the sublimation energy. The individual hopping integral is inverted from the exponential function and the pair potential is inverted from the remaining part of total cohesive energy.
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61.45.+s
02.10.Lh
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Published: 01 April 1995
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