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Hydrogen Flip Model for Metastable Structural Changes in Amorphous Silicon

Published online by Cambridge University Press:  15 February 2011

R. Biswas  and
Y.-P. Li
R. Biswas
Affiliation:
Department of Physics and Astronomy, Microelectronics Research Center and Ames Laboratory-USDOE, Iowa State University, Ames, Iowa 50011
Y.-P. Li
Affiliation:
Department of Physics, University of Science and Technology of China, Hefei 230026, People's Republic of China
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Abstract

We propose a new metastable defect associated with hydrogen atoms in amorphous silicon. A higher energy metastable state is formed when H is flipped to the backside of the Si-H bond at monohydride sites. This defect is described by a double-well potential energy and occurs in addition to metastable dangling bonds. The dipole moment of this “H-flip” defect is larger and increases the infrared absorption. This defect accounts for large structural changes observed on light soaking including larger absorption and volume dilation.

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