Research Article

First Principles Study of Cerium Monochalcogenides

Figure 2

dependence of the equilibrium lattice constant (first row), bulk modulus (second row), and magnetic moments (third row) for (a) CeS, (b) CeSe, and (c) CeTe. Circles (nonmagnetic), squares (ferromagnetic), and diamonds (antiferromagnetic) are obtained from a fit of the static energy at different lattice constants to a third order Vinet equation of state for the lattice constant and the bulk modulus and the calculated equilibrium magnetic moments for the ferro- and antiferromagnetic configurations (third row). In all subplots, the dotted thick line represents the experimental value of the plotted quantity which is quoted in Table 1.