R. Ahuja et al., CALCULATED ELECTRONIC AND OPTICAL-PROPERTIES OF A GRAPHITE-INTERCALATION COMPOUND - LIC6, Journal of physics. Condensed matter, 9(45), 1997, pp. 9845-9852
We have used the linear muffin-tin orbital method, without geometrical
approximations, to calculate the electronic structure of LiC6. Using
our self-consistent solution, we have calculated the anisotropic frequ
ency-dependent dielectric function and the reflectivity spectrum. The
calculated reflectivity spectrum is in good agreement with the experim
ental data.