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Publication
Physical Review B - CMMP
Review
Comment on "First-principles treatments of electron transport properties for nanoscale junctions"
Abstract
The use of a jellium model for the electrodes gives a good account of the conductance of a gold nanowire linking two metallic electrodes. The statement to the contrary in the recent paper of Fujimoto and Hirose [Phys. Rev. B 67, 195315 (2003)] is based on an incorrect positioning of the edge of the jellium relative to the outermost lattice plane of the electrode it represents.