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Nitrogen and Phosphorous Impurities in Diamond

Published online by Cambridge University Press:  25 February 2011

Koblar Jackson ,
Mark R. Pederson  and
Joseph G. Harrison
Koblar Jackson
Affiliation:
NRC-NRL Research Associate.
Mark R. Pederson
Affiliation:
Complex Systems Theory Branch, Naval Research Laboratory, Washington D.C. 20375-5000.
Joseph G. Harrison
Affiliation:
University of Alabama-Birmingham, Birmingham, AL 35294.
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Abstract

In this paper we use a first-principles local density approximation-based approach to study the properties of the n-type impurities nitrogen and phosphorous in diamond. We determine impurity donor level positions of 0.90 eV and 1.09 eV, respectively for C:N and C:P, measured relative to the bottom of the conduction band. We also study the energetics of impurity atom relaxation along the <111> direction in the diamond lattice. While experimental observations indicate a trigonal distortion about the impurity site, we find the on-center position for both impurity atoms to be stable against the simple <111> relaxation.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 163: Symposium G – Impurities, Defects and Diffusion in Semiconductors: Bulk and Layered Structures , 1989 , 89
Copyright
Copyright © Materials Research Society 1990

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References

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