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.
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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 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 |
| URI: | https://discovery.ucl.ac.uk/id/eprint/59630 |
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