【摘 要】
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A stable and long-range antiferromagnetic (AFM) coupling without charge carrier mediators has been searched for a long time,but the existence of this kind of co
【机 构】
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Department of Physics, The Chinese University of Hong Kong, Hong Kong
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A stable and long-range antiferromagnetic (AFM) coupling without charge carrier mediators has been searched for a long time,but the existence of this kind of coupling is still lacking.Based on first principle calculations,we systematically study carrier free long-range AFM coupling in four transition metal chalcopyrite systems:ABTe2 (A =Cu or Ag,B =Ga or In) in the dilute doping case.The AFM coupling is mainly due to the p-d coupling and electron redistribution along the interacting chains.The relatively small energy difference between p and d orbitals,as well as between dopants and atoms in the middle of the chain can enhance the stability of long-range AFM configurations.A multi-band Hubbard model is proposed to provide fundamental understanding of long-range AFM coupling.
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