Hartung-Gorre Verlag

Inh.: Dr. Renate Gorre

D-78465 Konstanz

Fon: +49 (0)7533 97227

Fax: +49 (0)7533 97228




Series in Microelectronics

edited by       Wolfgang Fichtner
                        Qiuting Huang
                        Heinz Jäckel
                        Gerhard Tröster
                        Bernd Witzigmann

Vol. 181


Beat Sahli,
Ab Initio Molecular Dynamics Simulation of Diffusion in Silicon.
2007, VIII, 198 pages. € 64,00. ISBN 3-86628-133-1


Diffusion of self-interstitials and vacancies in silicon plays an important role in thermal processes during integrated circuit manufacturing. The diffusion coefficients are key parameters for the understanding and for the simulation of these processes, but they are very hard to determine experimentally. This thesis describes the investigation of the diffusion of the self-interstitial and the vacancy in the neutral charge state by means of ab initio molecular dynamics simulations. The simulation data was analyzed in detail with newly developed methods specifically aimed at the investigation of point defect diffusion in crystalline solids. The diffusion coefficients were calculated at several temperatures, and the prefactors and migration energies were obtained from Arrhenius fits. The tracer correlation factor was calculated. Well defined and quantitative information on the defect configurations and the diffusion mechanisms was also extracted.

About the author:
Beat Sahli was born in 1975 in Berne, Switzerland. He studied physics at the University of Berne, where he received his Dipl. Phys. degree in 2000. In the same year, he joined the Integrated Systems Laboratory at ETH Zurich as a research and teaching assistant. He has been working in the field of atomic scale simulation of dopant diffusion and activation. The main focus of his research has been ab initio molecular dynamics simulation of diffusion in silicon.

Keywords: Diffusion, Silicon

Series in Microelectronics

Direkt bestellen bei / to order directly from: Hartung.Gorre@t-online.de