Schematic depiction of the , , , and type magnetic structures. The arrows represent spin direction in a cubic lattice.
Variation in first and second nn effective exchange interactions of with .
Variation in the relative energy of the , , , and magnetic structures of as a function of unit cell volume calculated for . The minimum energy in the graph is chosen as the reference energy and is set at zero. The volume corresponds to the bigger (tetragonal) unit cell whose volume is four times the cubic cell volume.
Variation in and with cubic lattice parameter of . The solid curves are fitted lines with a third order polynomial. The arrows indicate the lattice parameter corresponding to the equilibrium value.
Energy difference between and magnetic structures of as a function of cell volume. The arrow in the figure denotes the equilibrium volume.
(a) DOS of ferromagnetic and (b) -type AFM of at . The top panel is the total DOS while the rest corresponds to partial DOS.
Variation in the band gap of ELH and ETO with .
Relative energies of the various magnetic structures of calculated at different values of . For each , the minimum energy among the four configurations has been set to zero.
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