Abstract
A series of diamond polytype structures are described and their IR and Raman vibrational modes predicted. The diamond polytypes are analogous to the well-known silicon carbide polytypes. The intermediate 6H diamond polytype was recently identified by single crystal electron diffraction of vapor precipitated diamond powder. In addition, end member polytypes of 3C (cubic diamond) and 2H diamond (hexagonal lonsdaleite) have been previously established, and polytypes such as 4H, 8H, 15R, and 21R diamond are predicted, but may be difficult to isolate and identify. The various diamond polytype structures differ only in the stacking sequences of identical puckered hexagonal carbon layers. These identical carbon layers lie parallel to the cubic 3C {111} and the hexagonal 2H {001} planes. A new method for uniquely labeling the structural layers in the polytype stacking sequences is presented. Factor group analysis was used to determine the IR and Raman selection rules for five diamond polytypes with structures intermediate between those of end members diamond and lonsdaleite. Brillouin zone folding techniques were used to determine band positions, in analogy with analyses of SiC polytypes discussed in the literature. The results predict that (i) all diamond polytypes are Raman active, (ii) limiting polytypes 3C and 2H are not IR active, and (iii) polytypes 4H, 6H, 8H, 15R, and 21R have IR active modes.
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References
K. E. Spear, J. Am. Ceram. Soc. 72 (2), 171 (1989).
B. Heimann, J. Kleiman, and N. M. Salansky, Carbon 22 (2), 147 (1984).
R.W. G. Wyckoff, Crystal Structures, 2nd ed. (Interscience Publishers, 1963), Vol. 1, p. 26.
M. Frenklach, R. Kematick, D. Huang, W. Howard, K. E. Spear, A.W. Phelps, and R. Koba, J. Appl. Phys. 66, 395 (1989).
W. Howard, D. Huang, J. Yuan, M. Frenklach, K.E. Spear, R. Koba, and A.W. Phelps, J. Appl. Phys. 68, 1247 (1990).
C. E. Holcombe, Calculated X-Ray Diffraction Data for Polymorphic Forms of Carbon, Rpt. Y-1887, Oak Ridge Y-12 Plant, July 23, 1973.
A.W. Phelps, W. Howard, W. B. White, K. E. Spear, and D. Huang, in Diamond, Boron Nitride, Silicon Carbide, and Related Wide Bandgap Semiconductors, edited by J.T. Glass, R. F. Messier, and N. Fujimori (Mater. Res. Soc. Symp. Proc. 162, Pittsburgh, PA, 1989).
A. R. Verma and P. Krishna, Polymorphism and Polytypism in Crystals (Wiley, New York, 1966).
P.T. B. Shaffer, Acta Cryst. B25, 477 (1969).
D. Pandey and P. Krishna, Current Topics in Materials Science, edited by E. Kaldis (North Holland, Amsterdam, 1982), Vol. 9, Chap. 2, pp. 415–491.
J. A. Powell, in Novel Refractory Semiconductors, edited by D. Emin, T. L. Aselage, and C. Wood (Mater. Res. Soc. Symp. Proc. 97, Pittsburgh, PA, 1987).
S. Ergun and L. E. Alexander, Nature 195, 765 (1962).
F. P. Bundy and J. S. Kasper, J. Chem. Phys. 46, 3437 (1967).
R. E. Hanneman, H. M. Strong, and F. P. Bundy, Science 155, 995 (1967).
C. Frondel and U. B. Marvin, Nature 214, 587 (1967).
H. Hartmann, R. Mach, and B. Selle, Current Topics in Materials Science, edited by E. Kaldis (North Holland, Amsterdam, 1982), Vol. 9, Chap. 1, pp. 1–414.
A.W Phelps, W. M. Howard, and D. K. Smith (unpublished research, Penn State, June 1990).
D. S. Knight and W. B. White, J. Mater. Res. 4, 385 (1989).
D.W. Feldman, J. H. Parker, Jr., W. J. Choyke, and L. Patrick, Phys. Rev. 170, 698 (1968a).
D.W Feldman, J.H. Parker, Jr., W.J. Choyke, and L. Patrick, Phys. Rev. 173, 787 (1968b).
G. Dolling and R. A. Cowley, Proc. Phys. Soc. 88, 463 (1966).
J. L. Warren, R. G. Wenzel, and J. L. Yarnell, in Inelastic Scattering of Neutrons (International Atomic Energy Agency, Vienna, 1965), p. 361.
S. A. Solin and R. J. Kobliska, in Amorphous and Liquid Semiconductors, edited by J. Stuke (Taylor and Francis, London, 1974), p. 1251.
B. A. DeAngelis, R. E. Newnham, and W. B. White, Am. Mineral. 57, 255 (1972).
S. Nakashima, H. Katahama, Y. Nakakura, and A. Mitsuishi, Phys. Rev. B 33, 5721 (1986).
E. B. Wilson, Jr., J. C. Decius, and P. C. Cross, Molecular Vibrations (Dover Pub., New York, 1980).
J. F. Vetelino and S. S. Mitra, Phys. Rev. 178, 1349 (1969).
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Spear, K.E., Phelps, A.W. & White, W.B. Diamond polytypes and their vibrational spectra. Journal of Materials Research 5, 2277–2285 (1990). https://doi.org/10.1557/JMR.1990.2277
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DOI: https://doi.org/10.1557/JMR.1990.2277