Phys. Rev. Lett. 101, 037209 (2008) [4 pages]
Spin-Orbit Coupling and Ion Displacements in Multiferroic TbMnO3
Abstract
References (32)
Citing Articles
H. J. Xiang, 1 Su-Huai Wei, 1 M.-H. Whangbo, 2 and Juarez L. F. Da Silva11National Renewable Energy Laboratory, Golden, Colorado 80401, USA
2Department of Chemistry, North Carolina State University, Raleigh, North Carolina 27695-8204, USA
Received 20 March 2008; published 18 July 2008
The magnetic and ferroelectric (FE) properties of TbMnO3 are investigated on the basis of relativistic density functional theory calculations. We show that, due to spin-orbit coupling, the spin-spiral plane of TbMnO3 can be either the bc or ab plane, but not the ac plane. As for the mechanism of FE polarization, our work reveals that the “pure electronic” model by Katsura, Nagaosa, and Balatsky is inadequate in predicting the absolute direction of FE polarization. Our work indicates that to determine the magnitude and the absolute direction of FE polarization in spin-spiral states, it is crucial to consider the displacements of the ions from their centrosymmetric positions.
©2008 The American Physical Society
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