Dresden 2014 – scientific programme

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 37: Poster Session 2

CPP 37.48: Poster

Wednesday, April 2, 2014, 15:00–19:00, P3

Heteroepitaxial growth of C60 on a substrate: a kinetic Monte Carlo study — •Christopher Wächtler, Nicola Kleppmann, and Sabine H. L. Klapp — Institut für Theoretische Physik, Technische Universität Berlin, Hardenbergstr. 36, 10623 Berlin, Germany

Thin crystalline fullerite films are currently of high interest as candidates for applications in semiconductor devices. Therefore a good understanding of the growth mechanisms and of the influence of parameters like temperature and the underlying substrate is mandatory.

Experimental data [1] leads us to examine the heteroepitaxial growth of fullerenes on mica. Based on transition state theory and previous studies of C60 epitaxy [2] we use kinetic Monte Carlo simulations to reproduce the experimental results under the same experimental conditions, i.e. temperature, deposition rate and substrate size. In this study we analyze the influence of the substrate on the system dynamics during deposition and subsequent relaxation on a real-space surface on experimental time scales. The systems of lateral extension of 500 to 2000 nm show a Volmer-Weber mechanism and grow near the thermodynamical equilibrium. Morphological quantities such as island density and layer coverage are used to characterize the simulated films. We also investigate the influence of strain on the growth mode of fullerenes grown on a substrate with a lattice constant that is incommensurable to the C60 fcc crystal.

[1] H.-G. Busmann et al., Surf.Sci. 289, 3, (1993).

[2] S. Bommel, N. Kleppmann et al., submitted to PRL