Abstract
Long-range diffusion of the substitutional impurity in the otherwise monoatomic hcp-like lattices (H1 type) via the monovacancy mechanism has been considered within the encounter approximation. A five-frequency model (valid for cubic lattices) extends here naturally into a sixteen-frequency model, leaving fourteen normalized frequencies, the latter describing an anisotropic part of the self-correlation function. Two simplified cases can be distinguished: a self-diffusion being described by a single normalized frequency and a true hcp lattice, where only three normalized frequencies remain independent of each other. A general formalism is discussed and a few examples are evaluated numerically.
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Miczko, B., Ruebenbauer, K. & Sepioł, B. Self-correlation functions for impurity diffusion in hexagonal lattices. Hyperfine Interact 52, 107–121 (1989). https://doi.org/10.1007/BF02609550
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DOI: https://doi.org/10.1007/BF02609550