Electronic structure of metals. III. Properties of the lattice and of electron transport
- 1 June 1977
- journal article
- Published by IOP Publishing in Journal of Physics F: Metal Physics
- Vol. 7 (6) , 885-899
- https://doi.org/10.1088/0305-4608/7/6/006
Abstract
For pt.II see ibid., vol.5, p.1849 (1975). The use of an energy-independent model pseudopotential, developed using a low-order pseudopotential perturbation theory (see part I) is extended to (i) first-principles calculation of second-order elastic constants and phonon spectra of the alkali metals employing a number of widely used exchange-correlation factors, F(q), of the electron gas and (ii) the derivation of a more reliable expression for a pseudopotential calculation of electrical resistivities of solid simple metals. Then, the authors consider a possible error from the omission of higher-order perturbation corrections and analyse the calculated results.Keywords
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