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EFFECTS OF THE STM TIP ON ATOMIC POSITIONS - AN EXPLANATION FOR THE NONOBSERVATION OF ADSORBED MOLECULES

RAMOS, MMD; STONEHAM, AM; SUTTON, AP; PETHICA, JB; (1990) EFFECTS OF THE STM TIP ON ATOMIC POSITIONS - AN EXPLANATION FOR THE NONOBSERVATION OF ADSORBED MOLECULES. J PHYS-CONDENS MAT , 2 (26) 5913 - 5917. 10.1088/0953-8984/2/26/029. Green open access

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Abstract

The authors have performed self-consistent calculations for molecules adsorbed on a metal substrate in the presence of a scanning tunnelling microscope (STM) tip. These calculations of comprise (i) estimates of the inhomogeneous electric field, (ii) the self-consistent calculation of both electronic structure and molecular geometry using an extended semi-empirical molecular orbital method, and (iii) estimates of the tunnelling current using the resulting wave-functions and geometries. The STM tip causes changes in atomic positions which can complicate the link between current and geometry. In particular, induced molecular reorientation may well explain the lack of observation by STM of adsorbed CO on metals.

Type: Article
Title: EFFECTS OF THE STM TIP ON ATOMIC POSITIONS - AN EXPLANATION FOR THE NONOBSERVATION OF ADSORBED MOLECULES
Open access status: An open access version is available from UCL Discovery
DOI: 10.1088/0953-8984/2/26/029
Publisher version: http://dx.doi.org/10.1088/0953-8984/2/26/029
Language: English
Additional information: Text made available to UCL Discovery by kind permission of IOP Publishing, 2012
UCL classification: UCL > Provost and Vice Provost Offices
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > London Centre for Nanotechnology
URI: http://discovery.ucl.ac.uk/id/eprint/59630
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