Attenuation of Conductance in Cobalt Extended Metal Atom Chains

Density functional theory, in conjunction with nonequilibrium Green’s functions, is used to explore the attenuation of the resistance of Co x wires along the series Co3(dpa)4(NCS)2, Co5(tpda)4(NCS)2, and Co7(teptra)4(NCS)2. At very low bias (0 < V < 25 mV) the conductance, G, decreases in the...

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Veröffentlicht in:	Journal of physical chemistry. C 2012-09, Vol.116 (38), p.20163-20172
Hauptverfasser:	Georgiev, Vihar P, Sameera, W. M. C, McGrady, John E
Format:	Artikel
Sprache:	eng
Schlagworte:	Condensed matter: electronic structure, electrical, magnetic, and optical properties Condensed matter: structure, mechanical and thermal properties Crystalline state (including molecular motions in solids) Electron states Exact sciences and technology Methods of electronic structure calculations Nanoscale materials: clusters, nanoparticles, nanotubes, and nanocrystals Physics Structure of solids and liquids crystallography Theory of crystal structure, crystal symmetry calculations and modeling
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