Title
Structure and dynamics of C60 molecules on Au(111)
Date Issued
19 June 2014
Access level
open access
Resource Type
journal article
Author(s)
Shin H.
Schwarze A.
Diehl R.D.
Pussi K.
Colombier A.
Gaudry E.
Ledieu J.
McGuirk G.M.
Fournée V.
Wang L.L.
Schull G.
Berndt R.
Université de Lorraine
Publisher(s)
American Physical Society
Abstract
Earlier studies of C60 adsorption on Au(111) reported many interesting and complex features. We have performed coordinated low-energy electron diffraction, scanning tunneling microscopy (STM), and density functional theory studies to elucidate some of the details of the monolayer commensurate (2√3 × 2√3)R30° phase. We have identified the adsorption geometries of the two states that image as dim and bright in STM. These consist of a C60 molecule with a hexagon side down in a vacancy (hex-vac) and a C60 molecule with a carbon-carbon 6:6 bond down on a top site (6:6-top), respectively. We have studied the detailed geometries of these states and find that there is little distortion of the C60 molecules, but there is a rearrangement of the substrate near the C60 molecules. The two types of molecules differ in height, by about 0.7 Å, which accounts for most of the difference in their contrast in the STM images. The monolayer displays dynamical behavior, in which the molecules flip from bright to dim, and vice versa. We interpret this flipping as the result of the diffusion of vacancies in the surface layers of the substrate. Our measurements of the dynamics of this flipping from one state to the other indicate that the activation energy is 0.66 ± 0.03 eV for flips that involve nearest-neighbor C60 molecules, and 0.93 ± 0.03 for more distant flips. Based on calculated activation energies for vacancies diffusing in Au, we interpret these to be a result of surface vacancy diffusion and bulk vacancy diffusion. These results are compared to the similar system of Ag(111)-(2√3 × 2√3)R30°-C60. In both systems, the formation of the commensurate C60 monolayer produces a large number of vacancies in the top substrate layer that are highly mobile, effectively melting the interfacial metal layer at temperatures well below their normal melting temperatures. © 2014 American Physical Society.
Volume
89
Issue
24
Language
English
OCDE Knowledge area
Física de la materia condensada
Física y Astronomía
Scopus EID
2-s2.0-84903640477
Source
Physical Review B - Condensed Matter and Materials Physics
ISSN of the container
10980121
Sponsor(s)
U.S. Department of Energy, DE-AC02-07CH11358,
Sources of information:
Directorio de Producción Científica
Scopus