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First principles study of magnetism in divalent Eu perovskites
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Image of FIG. 1.
FIG. 1.

Schematic depiction of the , , , and type magnetic structures. The arrows represent spin direction in a cubic lattice.

Image of FIG. 2.
FIG. 2.

Variation in first and second nn effective exchange interactions of with .

Image of FIG. 3.
FIG. 3.

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.

Image of FIG. 4.
FIG. 4.

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.

Image of FIG. 5.
FIG. 5.

Energy difference between and magnetic structures of as a function of cell volume. The arrow in the figure denotes the equilibrium volume.

Image of FIG. 6.
FIG. 6.

(a) DOS of ferromagnetic and (b) -type AFM of at . The top panel is the total DOS while the rest corresponds to partial DOS.

Image of FIG. 7.
FIG. 7.

Variation in the band gap of ELH and ETO with .


Generic image for table
Table I.

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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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: First principles study of magnetism in divalent Eu perovskites