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Schematic representation of the density of states of a half-metallic system (left panel) and of a spin gapless semiconductor (right panel). With blue (red) we show the spin-up (spin-down) states.
Total DOS per formula unit for the compounds under study. Positive DOS values correspond to the majority-spin (spin-up) states and negative DOS values to the minority-spin (spin-down) states. The zero of the energy axis corresponds to the Fermi level.
Band structure along the high-symmetry directions for the Ti2MnAl (upper panel) and Ti2CoSi (lower panel) compounds. The zero energy value in the vertical axis corresponds to the Fermi energy. With the solid [dashed] lines, we present the majority-spin (spin-up) [minority-spin (spin-down)] electronic bands.
Calculated equilibrium lattice constant and spin magnetic moments in for the inverse Heusler compounds under study. We use the symbols A and B to denote the two early transition metal atoms sitting at different sites (see text for explanation). Note that the total spin magnetic moment is given per formula unit (which coincides with the per unit cell value). The last column is the sum of the absolute values of the atom-resolved spin magnetic moments.
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