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Ab-Initio Theory of Defect Structure in a-Si iH

Published online by Cambridge University Press:  28 February 2011

Yaneer Bar-Yam  and
J. D. Joannopoulos
Yaneer Bar-Yam
Affiliation:
Massachusetts Institute of Technology, Department of Physics, 77 Massachusetts Avenue, Cambridge, MA 02139, U.S.A.
J. D. Joannopoulos
Affiliation:
Massachusetts Institute of Technology, Department of Physics, 77 Massachusetts Avenue, Cambridge, MA 02139, U.S.A.
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Abstract

It has recently become feasible that theory Will be able to predict the structure of solids “ab-initio”, using only the atomic number of the constituent atoms as input. This is based on recent advances in density-functional theory and pseudopotential theory. A simple physical introduction of the concepts underlying these theories is presented. Special emphasis is given to examining the structure and effective correlation energies of defects in amorphous Si.

Type
Articles
Information
MRS Online Proceedings Library (OPL) , Volume 70: Symposium E – Materials Issues in Amorphous-Semiconductor Technology , 1986 , 97
Copyright
Copyright © Materials Research Society 1986

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References

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