Ising magnetism and ferroelectricity in Ca$_3$CoMnO$_6$

Details Ising magnetism and ferroelectricity in Ca$_3$CoMnO$_6$ Ising magnetism and ferroelectricity in Ca$_3$CoMnO$_6$

2008-06-10

arxiv.org/abs/0806.1607v2

Phys. Rev. Lett. 102, 026404 (2009)

Physics

Condensed Matter

Materials Science

4 pages, 3 figures, PRL in press (changes made upon referees comments)

Scientific paper

10.1103/PhysRevLett.102.026404

The origin of both the Ising chain magnetism and ferroelectricity in Ca$_3$CoMnO$_6$ is studied by $ab$ $initio$ electronic structure calculations and x-ray absorption spectroscopy. We find that Ca$_3$CoMnO$_6$ has the alternate trigonal prismatic Co$^{2+}$ and octahedral Mn$^{4+}$ sites in the spin chain. Both the Co$^{2+}$ and Mn$^{4+}$ are in the high spin state. In addition, the Co$^{2+}$ has a huge orbital moment of 1.7 $\mu_B$ which is responsible for the significant Ising magnetism. The centrosymmetric crystal structure known so far is calculated to be unstable with respect to exchange striction in the experimentally observed $\uparrow\uparrow\downarrow\downarrow$ antiferromagnetic structure for the Ising chain. The calculated inequivalence of the Co-Mn distances accounts for the ferroelectricity.

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