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Field emission of metal nanowires studied by first-principles methods

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Choong-Ki Lee1, Bora Lee1, Jisoon Ihm2 and Seungwu Han1,3

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We study the field-emission properties of an ultrathin silver nanowire using first-principles methods. The simulation and analysis of the field emission are carried out based on density-functional theory using a localized basis scheme. Through the explicit time evolution of wavefunctions, we obtain the emission currents and spatial distributions of emitted electrons from a silver nanowire. In contrast to carbon nanotubes, the localized states are not found. Instead, pronounced emission currents are observed for s-like extended states that are free of nodes in a plane normal to the field direction, and the total emission currents of a silver nanowire are found to be significantly larger than those of carbon nanotubes. A quantum-mechanical analysis is presented to explain the observed current enhancement. On the other hand, an ultrathin gold nanowire gives much smaller emission currents than the silver nanowire due to a larger work function.


PACS

79.70.+q Field emission, ionization, evaporation, and desorption

73.22.-f Electronic structure of nanoscale materials: clusters, nanoparticles, nanotubes, and nanocrystals

71.15.Mb Density functional theory, local density approximation, gradient and other corrections

Subjects

Condensed matter: electrical, magnetic and optical

Nanoscale science and low-D systems

Dates

Issue 47 (28 November 2007)

Received 18 July 2007, in final form 16 September 2007

Published 19 October 2007



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