The construction of a reliable potential for GeO2, from first-principles, is
described. The obtained potential, which includes dipole polarization effects,
is able to reproduce all the studied properties (structural, dynamical and
vibrational) to a high degree of precision with a single set of parameters. In
particular, the infrared spectrum was obtained with the expression proposed for
the dielectric function of polarizable ionic solutions by Weis et al. [J.M.
Caillol, D. Levesque and J.J. Weis, J. Chem. Phys. 91, 5544 (1989)]. The
agreement with the experimental spectrum is very good, with three main bands
that are associated to tetrahedral modes of the GeO2 network. Finally, we give
a comparison with a simpler pair-additive potential.Comment: 9 pages, 8 figure