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Theoretical Study Of The Long-Wavelength Optical Properties Of Nacl, Kcl, Kbr, And Ki, John R. Hardy, A. M. Karo

John R. Hardy Papers

We have made a detailed theoretical study of the long-wavelength absorption of NaCl, KCl, KBr, and KI, associated with two-phonon difference processes caused by third-order anharmonic terms in the lattice potential energy. It was found that a simple nearest neighbor approximation to the anharmonicity, combined with lattice-dynamical eigenfrequencies and eigenvectors generated with the use of a deformation dipole model, can generally account for most of the observed absorption. This agreement was obtained without the use of any disposable parameters, as the form of the first-neighbor potential was predetermined. It was also found that discrepancies between theory and experiment can generally …