JPS Conf. Proc. 3, 014040 (2014) [6 pages]
Proceedings of the International Conference on Strongly Correlated Electron Systems (SCES2013)
First-Principles Study of Exchange Interaction in Ising-Type Multiferroic Ca3CoMnO6
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1Division of Mathematical and Physical Science, Natural Science and Technology, Kanazawa University, Kanazawa 920-1192, Japan
2Faculty of Mathematics and Physics, Institute of Science and Engineering, Kanazawa University, Kanazawa 920-1192, Japan
1Graduate School of Natural Science and Technology, Kanazawa University, Kanazawa 920-1192, Japan
2Faculty of Mathematics and Physics, Institute of Science and Engineering, Kanazawa University, Kanazawa 920-1192, Japan
Received September 30, 2013
We perform first-principles calculations of multiferroic Ca3CoMnO6 and evaluate the exchange coupling constants using the Green’s function method. We clarify the effect of intra-chain and inter-chain exchange interactions on magnetic stability. We find that inter-chain exchange coupling constants are antiferromagnetic and that there are geometrical frustrations in the triangular lattices of magnetic chains in Ca3CoMnO6. The magnetic transition temperature is evaluated using effective Hamiltonian with calculated exchange coupling constants. We obtain the transition temperature 5.80 K. The value has the same order as that of experimentally observed.
©2014 The Physical Society of Japan
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