Series in Microelectronics

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

Vol. 212


Kilian Vollenweider,

Dopant Clustering and Diffusion in Silicon.

2010. XII, 90 pages. ISBN 3-86628-354-7, 978-3-86628-354-1



TOC of book


In this dissertation the clustering and diffusion of dopants and codopants in silicon were studied with density functional based simulations. The investigations focused on three topics for which the following results were elaborated.

Point defect clusters with phosphorus, arsenic and antimony were examined, including mixed clusters. It was shown that these dopant species interact, modifying their diffusion and activation. Most importantly, mixed clusters can exist in similar concentrations as pure clusters, reducing the fraction of active dopants.

Among the mobile fluorine defects FV2, FV, F and FI, the extra fluorine atom (F) was found to dominate diffusion. In p-type silicon it was neutral and in n-type silicon it was negatively charged. During migration of both, F0 and F-, the fluorine atom moved from one bond-centered configuration into a neighboring one.

Arsenic diffusion was investigated in uniaxially stressed silicon. At a temperature of 10000  C, the diffusion of the most prevalent As vacancy pair (AsV) was found to be strongly increased in compressively strained silicon and unchanged under tensile strain.


About the Author


Kilian Vollenweider was born in M¨annedorf, Switzerland, on January 23, 1982. He studied Physics at the Swiss Federal Institute of Technology (ETH) in Z¨ urich and received his master degree in 2006. In 2007 he joined the Integrated Systems Laboratory (IIS) at ETH as a research and teaching assistant, where he worked in the field of density functional theory based ab-initio simulations. The focus of his study was on dopant clustering and diffusion in silicon.


Keywords: Dopant, Defect, Silicon, Diffusion, ab-initio.

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