Physics – Condensed Matter – Materials Science
Scientific paper
1998-03-13
Published in AIP Conference Proceedings, Vol. 418, pages 315 - 328
Physics
Condensed Matter
Materials Science
14 pages, 1 Postscript figure
Scientific paper
10.1063/1.54652
The voltage induced driving force on a migrating atom in a metallic system is discussed in the perspective of the Hellmann-Feynman force concept, local screening concepts and the linear-response approach. Since the force operator is well defined in quantum mechanics it appears to be only confusing to refer to the Hellmann-Feynman theorem in the context of electromigration. Local screening concepts are shown to be mainly of historical value. The physics involved is completely represented in ab initio local density treatments of dilute alloys and the implementation does not require additional precautions about screening, being typical for jellium treatments. The linear-response approach is shown to be a reliable guide in deciding about the two contributions to the driving force, the direct force and the wind force. Results are given for the wind valence for electromigration in a number of FCC and BCC metals, calculated using an {\it ab initio} KKR-Green's function description of a dilute alloy.
Dekker J. P.
Lodder A.
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