Heat of transport in solids. II. Harmonic theory for a vacancy in the simple cubic lattice

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Abstract
For pt.I see ibid., vol.10, p.1641 (1977). A recent theory for the heat of transport in solids is applied to the case of vacancy diffusion in the simple cubic lattice. The harmonic theory of diffusion is used. The theory proceeds via the calculation of the energy moment and current in the limit of large times starting from a specified initial condition. An additional insight into the dynamical processes involved is given by computing the moment and current for general times. Accurate numerical values (within the harmonic approximation) for these quantities and for the model heat of transport Q are obtained. One contribution to Q is the three-dimensional analogue of Schottky's linear chain result. The contribution is an important one. This result contradicts Huntington's argument, according to which the Schottky contribution is insignificant in three dimensions. Huntington's argument (1968) may be fallacious.

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