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Title: Origin of the smaller conductances of Rh, Pb, and Co atomic junctions in hydrogen environment

We study theoretically the structural and electronic origins of the smaller conductances (one conductance quantum, G{sub 0}, and smaller) of Rh, Pb, and Co metal atomic junctions (MAJs) in a hydrogen environment, as were measured in recent experiments. For the Rh MAJs, the 1G{sub 0} conductance is attributed to a stable contact bridged by a single hydrogen molecule whose antibonding state provides a single transport channel. For the Pb and Co MAJs the 1G{sub 0} conductance is, however, ascribed to a linear atomic chain adsorbing two dissociated H atoms, which largely reduces the density of states at the Fermi energy with respect to the pure ones. On the other hand, the small conductances of 0.3G{sub 0} (Rh) and 0.2G{sub 0} (Co) are due to H-decorated atomic chains connected to electrodes by a H atom.
Authors:
; ; ;  [1] ;  [2]
  1. Department of Physics, Shanghai Normal University, 100 Guilin Road, Shanghai 200232 (China)
  2. MOE Key Laboratory of Advanced Microstructured Materials, School of Physics Science and Engineering, Tongji University, 1239 Siping Road, Shanghai 200092 (China)
Publication Date:
OSTI Identifier:
22413102
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 117; Journal Issue: 6; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ATOMS; COBALT; DENSITY OF STATES; ELECTRIC CONDUCTIVITY; ELECTRIC CONTACTS; ELECTRODES; ELECTRONIC STRUCTURE; FERMI LEVEL; HYDROGEN; LEAD; MOLECULES; RHODIUM; SEMICONDUCTOR JUNCTIONS