Journal article
Energy-resolved STM mapping of C-60 on metal surfaces: A theoretical study
Publication Details
Authors: | De Menech, M.; Saalmann, U.; Garcia, M. |
Publication year: | 2006 |
Journal: | Physical Review B |
Pages range : | 155407 |
Journal acronym: | Phys. Rev. |
Volume number: | 73 |
ISSN: | 1098-0121 |
Abstract
We present a detailed theoretical study of scanning tunneling imaging and spectroscopy of C-60 on silver and gold surfaces, motivated by the recent experiments and discussion by [Lu Phys. Rev. Lett. 90, 096802 (2003); Phys. Rev. B 70, 115418 (2004)]. The surface/sample/tip system is described within a self-consistent density-functional-theory-based tight-binding model. The topographic and conductance images are computed at constant current from a full self-consistent transport theory based on nonequilibrium Green's functions and compared with those simulated from the local density of states. The molecular orbitals of C-60 are clearly identified in the energy resolved maps, in close correspondence with the experimental results. We show how the tip structure and orientation can affect the images. In particular, we consider the effects of truncated tips on the energy-resolved maps.
We present a detailed theoretical study of scanning tunneling imaging and spectroscopy of C-60 on silver and gold surfaces, motivated by the recent experiments and discussion by [Lu Phys. Rev. Lett. 90, 096802 (2003); Phys. Rev. B 70, 115418 (2004)]. The surface/sample/tip system is described within a self-consistent density-functional-theory-based tight-binding model. The topographic and conductance images are computed at constant current from a full self-consistent transport theory based on nonequilibrium Green's functions and compared with those simulated from the local density of states. The molecular orbitals of C-60 are clearly identified in the energy resolved maps, in close correspondence with the experimental results. We show how the tip structure and orientation can affect the images. In particular, we consider the effects of truncated tips on the energy-resolved maps.
