Tip orbitals and the atomic corrugation of metal surfaces in scanning tunneling microscopy

William Sacks
Phys. Rev. B 61, 7656 – Published 15 March 2000
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Abstract

When atomic resolution is achieved, the scanning tunneling microscope (STM) image of a dense metal surface shows a giant amplitude, i.e., between one and two orders of magnitude larger than expected from an s-wave tip. To date, no satisfactory explanation has been given. Using our earlier nonperturbative formalism for the tunnel current, we reconsider the corrugation problem with a single atom tip having s, p, or d orbitals, or a combination. Particular emphasis is on the value of the corrugation as a function of the tunnel resistance Δl,m(R). Results show that the corrugation, observed over the wide range (105108Ω), is inconsistent by nearly two orders of magnitude with the s-orbital theory, and by one order of magnitude with the dz2 one. We also can put aside tip-surface interactions. Tip states, such as pz and dz2, give basically s-wave behavior in Δl,m(R). However, those with axial symmetry, such as dxz+idyz and having a nodal line orthogonal to the surface, give an enhanced corrugation. Finally, in tip states with a nodal plane, such as dx2y2, the enhancement effect is much more pronounced. Identical results are obtained by considering separately the nearly free electron model, and a new method of atomic orbital superposition, for the metal surface.

  • Received 27 July 1999

DOI:https://doi.org/10.1103/PhysRevB.61.7656

©2000 American Physical Society

Authors & Affiliations

William Sacks

  • Groupe de Physique des Solides, Universités Paris 7 et Paris 6, Unité Mixte de Recherche C.N.R.S. (UMR 75 88), 2 place Jussieu, 75251 Paris Cedex 5, France

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Vol. 61, Iss. 11 — 15 March 2000

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