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Mechanisms of Diffusion of a Small Impurity in Noble Gas Crystals
Author(s) -
Eletskii A. V.,
Stepanov E. V.
Publication year - 1985
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221300215
Subject(s) - fluorine , diffusion , atom (system on chip) , octahedron , tetrahedron , crystal (programming language) , jump diffusion , impurity , work (physics) , chemistry , interstitial defect , noble gas , crystallography , atomic physics , jump , materials science , crystal structure , thermodynamics , condensed matter physics , physics , doping , organic chemistry , quantum mechanics , computer science , programming language , embedded system
Mechanisms of diffusion of fluorine in noble gas crystals are analyzed. By numerical simulation of the fluorine atom interstitial diffusion jump in a crypton crystal the profile of the system potential energy is obtained along the jump coordinate. The most energy‐beneficial way for the fluorine atom transition between neighbouring octahedral interstices is shown to pass through a tetrahedral interstice in which the position of fluorine atom is unstable (the octa‐tetra‐octa jump). The theory of such transitions is developed, taking into account the change in phonon spectrum of a disturbed crystal in the process of diffusion jump. The fluorine atom diffusion coefficient is obtained.