The low-temperature value of the tungsten bulk lattice parameter is 5.973 a.u. [N. E. Christensen and B. Feuerbacher, Phys. Rev. B 10, 2349 (1974)]. In our calculation, we used by mistake the value of 5.793 a.u. Our conclusions, however, are insensitive to this 3% difference, as confirmed by the following: (i) The same slab geometry, with a 6% surface layer contraction does not bring any significant difference in the surface electronic structure [M. Posternak, H. Krakauer, and A. J. Freeman, Phys. Rev. B 25, 755 (1982)] (ii) Subsequent calculations by Ohnishi et al. [Phys. Rev. B 29, 5267 (1984)] and Mattheiss and Hamann [Phys. Rev. B 29, 5372 (1984)] give results in good agreement with ours; in particular, spectral properties and work function are insensitive to this lattice parameter difference.
ASJC Scopus subject areas
- Condensed Matter Physics