Advances in Research by Frederick Seitz, David Turnbull and Henry Ehrenreich (Eds.)

By Frederick Seitz, David Turnbull and Henry Ehrenreich (Eds.)

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F1 can have only one independent component in a cubic crystal; it must be a scalar multiplied by the unit tensor. Its effect is, therefore, the same as the effect 40 ROBERT W. KEYES of a hydrostatic pressure; it can only uniformly dilate or contract the crystal. On the other hand, F1 may have two components in a uniaxial crystal. Its effect then will, in general, be to change both the c/a ratio and the volume of the crystal. The coefficients c and C are known as second- and third-order elastic constants.

Springer, Berlin, 1965; H. Ehrenreich, H. R. Philipp, and B. Segall, Phys. Rev. 132, 1918, (1963). 26 16 R. , about 23 electrons for Fe and 20 for Cr. It cannot be claimed that this method of evaluation is exact. But it is realistic, because the scattering power at large s values is given by the arrangements of the electrons in the inner part of the atoms. Vice versa, the scattering power at small values of s represents the arrangement in the outer shell. Thus, addition of a third term in the equations for the experimental f values, similar to what was just exemplified for Na in NaC1, could bring the number of electrons up to the theoretical value of the uncharged atoms but would correspond to the plasma of conductivity electrons.

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. In such a case, the termination effect is rather large, so that either many extrapolated values have to be used or an artificial temperature factor has to be applied.

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