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Modeling of Transition Metal Color Centers in Diamond

Published online by Cambridge University Press:  09 February 2016

Nicholas W. Gothard ,
Douglas S. Dudis  and
Luke J. Bissell
Nicholas W. Gothard*
Affiliation:
University of Dayton Research Institute, 300 College Park Dr., Dayton, OH 45469, U.S.A.
Douglas S. Dudis
Affiliation:
Air Force Research Laboratory, WPAFB, OH, 45433, U.S.A.
Luke J. Bissell
Affiliation:
Air Force Research Laboratory, WPAFB, OH, 45433, U.S.A.
*
*(Email: nicholas.gothard@udri.udayton.edu)
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Abstract

Diamond stands out among single-photon sources due to an intrinsically large bandgap, photo-stable emission, room-temperature operation, short excited statelifetimes, and the ability to host hundreds of different color centers.Currently, most of these centers are active in the optical spectrum, but asingle-photon source in the infrared would represent a significant advancement.In pursuit of this end, a number of different transition metal atoms have beenstudied as dopants in the diamond lattice via the GAMESS (General AtomicMolecular and Electronic Structure System) cluster calculation package. Theimportance of cluster size and electron correlation effects is considered, andexcitation energies have been calculated via time-dependent density functionaltheory.

Keywords

diamondoptical propertiesdopant

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Type
Articles
Information
MRS Advances , Volume 1 , Issue 16: Electronics and Photonics , 2016 , pp. 1113 - 1117
Copyright
Copyright © Materials Research Society 2016 

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References

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