APS » PROLA » Phys. Rev. B » Volume 64 » Issue 19

Phys. Rev. B 64, 193314 (2001) [4 pages]

Molecular dynamics simulations of solid-phase epitaxy of Si: Defect formation processes

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Shinji Munetoh, Koji Moriguchi, and Akira Shintani *
Electronics Engineering Laboratories, Sumitomo Metal Industries, Ltd., 1-8 Fusocho, Amagasaki, Hyogo 660-0891, Japan

Ken Nishihira and Teruaki Motooka
Department of Materials Science and Engineering, Kyushu University, Hakozaki, Fukuoka 812-8581, Japan

Received 18 August 2000; revised 6 July 2001; published 30 October 2001

We have investigated defect formation processes during solid-phase epitaxy of Si in the [001] direction based on molecular dynamics (MD) simulations using the Tersoff potential. Two different types of defect formation processes have been successfully observed in the MD simulations. They can be characterized by the structure of Si-Si dimer bonds created at the amorphous/crystalline interface in the initial stage of the defect formation. In the first type, the Si-Si dimer bonds form coupled dimer lines and these coupled dimer lines lead to the creation of {111} stacking faults. In the second type, the Si-Si dimer bonds form a single dimer line which leads to the creation of [111] twins.


©2001 The American Physical Society

URL: http://link.aps.org/abstract/PRB/v64/e193314
DOI: 10.1103/PhysRevB.64.193314
PACS: 61.72.Cc, 02.70.Ns, 81.15.Np, 61.82.Fk

* Present address: Optoelectronics Technical Div. 1, Toyota-Gosei Co., Ltd., 710 Origuchi, Shimomiyake, Heiwa-cho, Nakashima-gun, Aichi 490-1312, Japan.

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