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Predicted Infrared Spectrum and X-Ray Diffraction Patterns for Diamond Polyiypes

Published online by Cambridge University Press:  26 February 2011

Andrew W. Phelps
Affiliation:
Diamond Materials. Inc., 2820 E. College Ave., State College PA 16801
William Howard
Affiliation:
Department of Materials Science and Engineering, The Pennsylvania State University, University Park PA 16802
William B. White
Affiliation:
Materials Research Laboratory, The Pennsylvania State University, University Park PA 16802
Karl E. Spear
Affiliation:
Department of Materials Science and Engineering, The Pennsylvania State University, University Park PA 16802
D. Huang
Affiliation:
Department of Materials Science and Engineering, The Pennsylvania State University, University Park PA 16802
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Abstract

The concept of diamond polytypism was examined and extended beyond the previous work to gain more analytical tools with which to understand and characterize these materials. This paper reports the band positions predicted for the expected infrared active modes of several diamond polytypes and the calculated diffraction patterns for the 21R and 15R polytypes. The infrared active modes were predicted on the basis of a generalized Brlllouin zone similar to that developed for silicon carbide polytypes. The diffraction patterns for the 21R and 15R polytypes were calculated in a manner similar to that used previously for the hexagonal polytypes. These results complete the suite of basic diffraction patterns for diamond polytypes.

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