Attenuation of conductance in cobalt extended metal atom chains

Georgiev, V.P. , Sameera, W.M.C. and McGrady, J.E. (2012) Attenuation of conductance in cobalt extended metal atom chains. Journal of Physical Chemistry C, 116(38), pp. 20163-20172. (doi: 10.1021/jp304807w)

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Abstract

Density functional theory, in conjunction with nonequilibrium Green’s functions, is used to explore the attenuation of the resistance of Cox 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 order G(Co3) > G(Co5) > G(Co7), consistent with experiment and with an anticipated inverse relationship between conductance and chain length. At higher voltages, however, the current–voltage responses of all three are striking nonlinear, and above 50 mV G(Co5) > G(Co3) > G(Co7). The very different behavior of the members of this homologous series can be traced to the different symmetries and multiplicities of their respective ground states, which in turn control the properties of the dominant transport channels.

Item Type:Articles
Status:Published
Refereed:Yes
Glasgow Author(s) Enlighten ID:McGrady, Prof John and Georgiev, Dr Vihar
Authors: Georgiev, V.P., Sameera, W.M.C., and McGrady, J.E.
College/School:College of Science and Engineering > School of Chemistry
College of Science and Engineering > School of Engineering > Electronics and Nanoscale Engineering
Journal Name:Journal of Physical Chemistry C
Publisher:American Chemical Society
ISSN:1932-7447

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