Insulating ferromagnetism in La4Ba2Cu2O10: An ab initio wannier function analysis

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作者
Ku, Wei [1 ]
Rosner, H. [1 ]
Pickett, W.E. [1 ]
Scalettar, R.T. [1 ]
机构
[1] Department of Physics, University of California, Davis, CA 95616-8677, United States
关键词
Composition effects - Electron energy levels - Ferromagnetism - Insulation - Magnetic couplings - Microscopic examination - Neodymium compounds - Phase transitions - Pressure effects - Quantum theory;
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摘要
Microscopic mechanisms of the puzzling insulating ferromagnetic (FM) order observed in La422 were identified based on calculated parameters of interactions between half-filled localized Wannier states (WSs). The long-omitted FM direct exchange was shown to overwhelm AF superexchange. The spatial distribution of the constructed low-energy all-electron WSs provided detailed insight into the exchange processes and the partial contribution of spin moment.
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