Group-theoretical calculation of the diffusion coefficient via the vacancy-assisted mechanism

Ryuichi Okamoto, Youhei Fujitani

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

Lower vacancy-density in a crystalline solid slows down the tracer diffusion via the vacancy-assisted mechanism, which can be modeled by means of particles hopping to their respective nearest-neighbor lattice-sites stochastically with double occupancy prohibited. The explicit expressions of the diffusion coefficient were previously obtained for various lattices in terms of Nakazato and Kitahara's method [Prog. Theor. Phys. 64 (1980) 2261]. This method yields a set of linear simultaneous algebraic equations as many as the number of lattice sites, which is reduced to a simple equation with respect to the diffusion coefficient in the final step of the method. We here give a systematic way of the reduction in terms of the group theory.

Original languageEnglish
Pages (from-to)2510-2516
Number of pages7
JournalJournal of the Physical Society of Japan
Volume74
Issue number9
DOIs
Publication statusPublished - 2005 Sep 1

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Keywords

  • Correlation factor
  • Projection operator
  • Self-diffusion

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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