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Title:
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Calculation of Morse Potential for Diamond Crystals. Applification to Anharmonic Effective Potential |
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Author:
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Nguyen, Van Hung; Nguyen, Cong Toan; Nguyen, Bao Trung; Ngo, Hoang Giang
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Abstract:
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Analytical expressions for the Morse potential parameters of diamond crystals have
been derived. They contain the energy of sublimation, the compressibility and the lattice constant.
Numerical calculations have been carried out for Si and Sn, and the results reflect fundamental
properties of this potential. The obtained Morse potential parameters have been used for
calculation of the anharmonic correlated effective potentials of these crystals in XAFS theory
showing clearly anharmonic effects . |
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Description:
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VNU Journal of Science, Mathematics - Physics. Vol. 24 (2008), No 3 (M.P), P. 125-131 |
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URI:
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http://hdl.handle.net/123456789/834
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Date:
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2008 |