Chapter

Application to Semiconductors and Insulators

Wai-yim Ching and Paul Rulis

in Electronic Structure Methods for Complex Materials

Published in print May 2012 | ISBN: 9780199575800
Published online September 2012 | e-ISBN: 9780191740992 | DOI: http://dx.doi.org/10.1093/acprof:oso/9780199575800.003.0005
Application to Semiconductors and Insulators

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This chapter covers the application of the OLCAO method to semiconductors and insulators. It is difficult to classify these crystals into distinctively different groups and some overlap between them is inevitable. A very large number of crystals are covered including: elemental and binary semiconductors, binary insulators, oxides, nitrides, carbides, elemental boron and borides, and finally phosphates. Because much has already been said about each of the crystal systems in these groups we focus our comments on the special points that exemplify the utility and uses of the OLCAO method rather than merely re-presenting the published results.

Keywords: semiconductors; insulators; oxides; nitrides; carbides; boron and boron compounds; phosphates

Chapter.  16799 words.  Illustrated.

Subjects: Condensed Matter Physics

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