Insulating ferromagnetism in La4Ba2Cu2O10: An ab initio wannier function analysis
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Ku, Wei
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Department of Physics, University of California, Davis, CA 95616-8677, United StatesDepartment of Physics, University of California, Davis, CA 95616-8677, United States
Ku, Wei
[1
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Rosner, H.
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Department of Physics, University of California, Davis, CA 95616-8677, United StatesDepartment of Physics, University of California, Davis, CA 95616-8677, United States
Rosner, H.
[1
]
Pickett, W.E.
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Department of Physics, University of California, Davis, CA 95616-8677, United StatesDepartment of Physics, University of California, Davis, CA 95616-8677, United States
Pickett, W.E.
[1
]
Scalettar, R.T.
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Department of Physics, University of California, Davis, CA 95616-8677, United StatesDepartment of Physics, University of California, Davis, CA 95616-8677, United States
Scalettar, R.T.
[1
]
机构:
[1] Department of Physics, University of California, Davis, CA 95616-8677, United States
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.