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Structural Band Gap Engineering

Published online by Cambridge University Press:  10 February 2011

Alexander A. Demkov ,
Otto F. Sankey  and
M. Fuentes
Alexander A. Demkov
Affiliation:
Predictive Engineering Laboratory, Motorola, Inc. Mesa, AZ 85202 Department of Physics, Arizona State University, Tempe, AZ 85287
Otto F. Sankey
Affiliation:
Department of Physics, Arizona State University, Tempe, AZ 85287
M. Fuentes
Affiliation:
Department of Physics, Arizona State University, Tempe, AZ 85287 Departamento de Fisica Fundamental y Experimental, Universidad de La Laguna, E- 38204 La Laguna, Tenerife, Spain
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Abstract

In this paper we discuss a novel approach to the band gap engineering of semiconductors Si, Ge, GaAs and AIN. We suggest that nanoporous polymorphs of these materials may exist which would offer a significant variation of the electronic band gap. Structurally, nanoporous semiconductors are related to the zeolitic nets, and a systematic procedure of generating these structures from the (4;2) nets is described. We use the ab initio total energy quantum molecular dynamics method Fireball96 to investigate the energetics and the electronic properties of these nanoporous or “expanded” semiconductor phases.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 486: Symposium H – Materials & Devices for Silicon Based Optoelectronics , 1997 , 355
Copyright
Copyright © Materials Research Society 1998

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