Non-collinear magnetism of GdB$_{4}$: A DFT+$U$ study
ORAL
Abstract
Lanthanide-borides show antiferromagnetic behavior where the magnetocrystalline anisotropy plays a major role in their magnetic structures. A recent neutron scattering experiment showed a particular noncollinear behavior of GdB$_{4}$ at room temperature. We will present our study on the non-collinear magnetism of GdB$_{4}$ with the GGA + $U$ method with spin orbit coupling. We have found that with or without spin-orbit coupling and with $U $collinear magnetism is favorable by few meV than the experimentally found noncollinear magnetic configuration. Among the noncollinear magnetism configurations that we have studied, when a $U $parameter and spin-orbit coupling are considered, the experimentally found noncollinear configuration was found to be favorable. However, the value of $U$ parameter is not unique; a range of values were able to get this magnetic order.
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Authors
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M. N. Huda
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Leonard Kleinman
Department of Physics, University of Texas at Austin, Texas-78712, USA, The University of Texas, University of Texas at Austin