By Frederick Seitz, David Turnbull and Henry Ehrenreich (Eds.)
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W. Keyes, Solid State Phys. 11, 149 (1960). Bardeen, Phys. Rev. Shockley and J. Bardeen, ibid. 77, 407 (1950);J. Bardeen and W. Shockley, ibid. 80, 72 (1950). C. Herring, Bell System Tech. J . 34, 237 (1955). K. Fuchs, Proc. Roy. A161, 585 (1935); A163, 622 (1936). H. Jones, Phil. Mag. S. Leigh, ibid. 42, 139 (1951). For a review, see N. F. Mott, Progr. Metal Phys. 3, 76 (1952). * J. ELECTRONIC EFFECTS I N ELASTIC CONSTANTS 39 in terms of models of electronic band structure. It will also be seen that some elastic properties of semiconductors are completely dominated by electronic effects.
The forementioned comparison between theoretical and observed f values. It is shown that agreement between theory and experiment is obtained only if complete ionization is present and the overlap of electron density is taken into account. Especially, H u r ~ t ’ atomic s ~ ~ scattering factors for the hydride ion, based on the (‘open configuration” function, gives an excellent agreement. Finally, Eq. 1) is used to calculate the number of electrons in a cube with r = and hydrogen in the origin.
Calder, W. Cochran, D. Griffiths, and R. D . Lowde, J . Phys. Chem. Solids 23, 621 (1962). s5 R. P. Hurst, Phys. Rev. 114, 746 (1959). 34 20 R. 36Furthermore, all the atomic coordinates are supposed to be known with high accuracy. The method may be demonstrated on the basis of diamond as a salient example. 7. DIAMOND a. , the heat movement of the atoms is rather small at ordinary temperature. The consequence is that the electron density of the atoms falls rather steeply from a maximum to a low value.