Premium
Calculation of Vacancy Migration Energies in Cubic Metals Using Generalized Morse Functions
Author(s) -
Neumann G.,
Tölle V.,
Hirschwald W.
Publication year - 1972
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.2220540216
Subject(s) - vacancy defect , morse code , sublimation (psychology) , morse potential , materials science , lattice constant , condensed matter physics , thermodynamics , atomic physics , physics , quantum mechanics , psychology , diffraction , electrical engineering , psychotherapist , engineering
The vacancy migration energies in f.c.c. and b.c.c. metals are calculated using the Morse functions of Drechsler and Nicholas. A relaxed vacancy mechanism is assumed and a radial relaxation referred to the lattice defect is admitted. The vacancy migration energies obtained as fractions of the heat of sublimation are highly dependent on the Morse constant b. The agreement between experimental and calculated energies is good as long as the Morse constant b does not exceed 4. In the case of b > 4 the calculated values for the vacancy migration energies deviate considerably from those determined experimentally, thus revealing the limits of the applicability of Morse functions to this kind of calculations.