ISSN:
1572-9567
Keywords:
copper
;
first-principles calculations
;
gold
;
metals
;
molybdenum
;
niobium
;
silver
;
tight binding
;
vacancy-formation energy
Source:
Springer Online Journal Archives 1860-2000
Topics:
Physics
Notes:
Abstract A new tight-binding total energy method, suitable for the description of atomic systems containing hundreds of atoms, is described, The method is applied to the calculation of the vacancy-fonnation energy in the noble metals and several transition metals, The method agrees reasonably well with experiment, even though no information about the vacancies was used in constructing the tight-binding Hamiltonian.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01441916
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