Self-Consistent Kinetic Lattice Monte Carlo
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AbstractWe present a brief description of a formalism for modeling point defect diffusion in crystalline systems using a Monte Carlo technique. The main approximations required to construct a practical scheme are briefly discussed, with special emphasis on the proper treatment of charged dopants and defects. This is followed by tight binding calculations of the diffusion barrier heights for charged vacancies. Finally, an application of the kinetic lattice Monte Carlo method to vacancy diffusion is presented.
2011 ◽
Vol 184
(4)
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pp. 811-817
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2010 ◽
Vol 7
(3)
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pp. 604-611
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2010 ◽
Vol 28
(1)
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pp. C1G18-C1G23
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2002 ◽
Vol 186
(1-4)
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pp. 339-343
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2005 ◽
Vol 4
(3)
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pp. 345-348
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2003 ◽
Vol 2
(2-4)
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pp. 497-500
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