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Plane-wave based electron tunneling through field emission resonance states

AuthorsGarcía-Lekue, Aran; Sánchez-Portal, Daniel ; Arnau, Andrés ; Wang, L. W.
Issue Date2013
PublisherAmerican Physical Society
CitationPhysical Review B 88: 155441 (2013)
AbstractField emission resonances (FERs) on Cu(100) surface are investigated by means of tunneling regime simulations performed with a plane-wave based transport calculation method. FERs are located near the surface and decay into the vacuum, and their accurate simulation requires a faithful description of vacuum states. This type of simulations is thus not possible using the popular transport methods based on atom-centered localized basis sets and the use of plane waves becomes important. We introduce a procedure to treat self-consistently (SC) the finite bias nonequilibrium problem in tunneling regime. Image potential effects are included in a semiempirical way within the SC calculation. Tunneling through FERs is studied following a practical strategy to approximate the inelastic transmission for states lying in the band gap of the surface. As our approach permits the use of any tip geometry, tip effects on the energy and wave functions of FERs are explored. The method reported here provides an ideal tool for the simulation of FERs aimed at the understanding of experimental STS (scanning tunneling spectroscopy) observations. © 2013 American Physical Society.
Publisher version (URL)http://dx.doi.org/10.1103/PhysRevB.88.155441
Identifiersdoi: 10.1103/PhysRevB.88.155441
issn: 1098-0121
e-issn: 1550-235X
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