Abstract

<p>A procedure is presented for the use of the Kramers-Kronig dispersion relations in treatment of normal-incidence infrared reflection spectra to yield optical constants of crystals. The crux of the practical problem, treatment of unobserved wing regions in the integrations, is discussed in detail. Definitive methods of picking optimum upper and lower limits for integration over actual data and for fitting artificial wings are discussed.</p><p>The method is tested on a reflection spectrum generated by a model involving several damped harmonic oscillators. It is shown how a region involving a single band (but flanked by "unobserved" bands) can be treated, and how accurately the method reproduces the theoretically known optical indices. It appears feasible to obtain the indices of absorption and of refraction to ±0.005 and ±0.002, respectively, given accurate data on reflectance. Integrated band intensities are reproduced to within a few percent.</p>

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  12. K. S. Seshadin and R. N. Jones, Spectrochim. Acta 19, 1013 (1963).

Anderson, G. R.

G. R. Anderson and W. B. Person, J. Chem. Phys. 36, 62 (1962).

Barnes, P. W.

P. W. Barnes and P. N. Schatz, J. Chem. Phys. 38, 2662 (1963).

Bowlden, H. J.

H. J. Bowlden and J. K. Wilmshurst, J. Opt. Soc. Am. 53, 1073 (1963).

Dows, D. A.

J. L. Hollenberg and D. A. Dows, Spectrochim. Acta 16, 1155 (1960).

Gottlieb, M.

M. Gottlieb, J. Opt. Soc. Am. 50, 343 (1960).

Hollenberg, J. L.

J. L. Hollenberg and D. A. Dows, Spectrochim. Acta 16, 1155 (1960).

Hopfield, J.

D. G. Thomas and J. Hopfield, Phys. Rev. 116, 573 (1959).

Jahoda, F. C.

F. C. Jahoda, Phys. Rev. 107, 1261 (1957).

Jones, R. N.

K. S. Seshadin and R. N. Jones, Spectrochim. Acta 19, 1013 (1963).

Kleinman, D. A.

W. G. Spitzer and D. A. Kleinman, Phys. Rev. 121, 1324 (1961).

Kozima, K.

P. N. Schatz, S. Maeda, and K. Kozima, J. Chem. Phys. 38, 2658 (1963).

Maeda, S.

P. N. Schatz, S. Maeda, and K. Kozima, J. Chem. Phys. 38, 2658 (1963).

Person, W. B.

G. R. Anderson and W. B. Person, J. Chem. Phys. 36, 62 (1962).

Robinson, T. S.

T. S. Robinson, Proc. Phys. Soc. (London) B65, 910 (1952).

Schatz, P. N.

P. N. Schatz, S. Maeda, and K. Kozima, J. Chem. Phys. 38, 2658 (1963).

P. W. Barnes and P. N. Schatz, J. Chem. Phys. 38, 2662 (1963).

Seshadin, K. S.

K. S. Seshadin and R. N. Jones, Spectrochim. Acta 19, 1013 (1963).

Spitzer, W. G.

W. G. Spitzer and D. A. Kleinman, Phys. Rev. 121, 1324 (1961).

Thomas, D. G.

D. G. Thomas and J. Hopfield, Phys. Rev. 116, 573 (1959).

Vincent-Geisse, J.

J. Vincent-Geisse, J. Phys. (Paris) 24, 259 (1963).

Wilmshurst, J. K.

H. J. Bowlden and J. K. Wilmshurst, J. Opt. Soc. Am. 53, 1073 (1963).

Other (12)

T. S. Robinson, Proc. Phys. Soc. (London) B65, 910 (1952).

F. C. Jahoda, Phys. Rev. 107, 1261 (1957).

D. G. Thomas and J. Hopfield, Phys. Rev. 116, 573 (1959).

M. Gottlieb, J. Opt. Soc. Am. 50, 343 (1960).

G. R. Anderson and W. B. Person, J. Chem. Phys. 36, 62 (1962).

H. J. Bowlden and J. K. Wilmshurst, J. Opt. Soc. Am. 53, 1073 (1963).

P. N. Schatz, S. Maeda, and K. Kozima, J. Chem. Phys. 38, 2658 (1963).

W. G. Spitzer and D. A. Kleinman, Phys. Rev. 121, 1324 (1961).

P. W. Barnes and P. N. Schatz, J. Chem. Phys. 38, 2662 (1963).

J. L. Hollenberg and D. A. Dows, Spectrochim. Acta 16, 1155 (1960).

J. Vincent-Geisse, J. Phys. (Paris) 24, 259 (1963).

K. S. Seshadin and R. N. Jones, Spectrochim. Acta 19, 1013 (1963).

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