INTERBAND CRITICAL POINTS OF SOME ICOSAHEDRAL BORON-RICH SOLIDS

摘要

The complex dielectric functions of beta-rhombohedral boron, of boron carbide with compositions between B4.23C and B10.37C and YB66, mere measured between about 2.5 and 9.5 eV. Similarities of the electronic structures probably due to the icosahedra are indicated by obvious qualitative similarities of the spcetra, Numerous critical points have been determined and confirm the dense sequence of energy bands, For beta-rhombohedral boron the critical points are compatible with the combined density of states maxima derived from cluster calculations by K. Shirai and H. Nakamatsu (1994, in ''Proc. 11th Int. Symp. Boron, Borides and Related Comp, Tsukuba, 1993,'' JJAP Series 10, p. 70), Otherwise no satisfactory correlation with theoretical band structure calculations is possible, In the case of boron carbide the critical points art the same within the whole homogeneity range, while the values of the dielectric function at higher energies indicate composition-dependent densities of states, which are correlated with the density of B-12 icosahedra. (C) 1997 Academic Press. [References: 25]