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Calculated electronic and optical properties of a graphite intercalation compound:

1997; IOP Publishing; Volume: 9; Issue: 45 Linguagem: Inglês

10.1088/0953-8984/9/45/012

1361-648X

Rajeev Ahuja, S. Auluck, Olle Eriksson, Börje Johansson,

Boron and Carbon Nanomaterials Research

We have used the linear muffin-tin orbital method, without geometrical approximations, to calculate the electronic structure of . Using our self-consistent solution, we have calculated the anisotropic frequency-dependent dielectric function and the reflectivity spectrum. The calculated reflectivity spectrum is in good agreement with the experimental data.