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First-Principles Calculations of Field Emission from Nano-Structures

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A simple yet accurate self-consistent method using the density functional formalism is introduced to study the field emission properties of the nano-structures including the nanographitic armchair ribbons and the Fe bilayer on W(001) surface. The field emission currents from the armchair ribbons are dominated by the contribution from off-zone-center states because of specific wavefunction symmetries, and there exists an anomalous current density dependence on the inter-ribbons separation due to edge dipole effects. The high minority-spin-polarization of the field emission current from the Fe bilayer on W(001) surface is found, and is due to that the emission current with majority-spin is from the W substrate states but the current with minority-spin is mainly contributed by the quantum well states localized in the Fe bilayer. These rather novel properties should be ascribed to the special electronic structures of these two nano-structures.
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Document Type: Research Article

Publication date: October 1, 2006

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  • Journal of Computational and Theoretical Nanoscience is an international peer-reviewed journal with a wide-ranging coverage, consolidates research activities in all aspects of computational and theoretical nanoscience into a single reference source. This journal offers scientists and engineers peer-reviewed research papers in all aspects of computational and theoretical nanoscience and nanotechnology in chemistry, physics, materials science, engineering and biology to publish original full papers and timely state-of-the-art reviews and short communications encompassing the fundamental and applied research.
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