Research Article

First Principles Study of Cerium Monochalcogenides

Figure 3

Total (a) and bonding charge (b) density of CeTe in the spin-polarized rhombohedral structure. In (a) the blue surface indicates 0.005 electron/ level of density and grey regions indicate intersection between the constant density surface with the primitive unit cell surface. Blue (red) surface indicates +0.003 (−0.003) electron/ density difference between CeTe and sum of separate Ce and Te atoms in the same structure in (b).