Exchange Coupling in Eu Monochalcogenides from First Principles(Condensed Matter : Electronic Structure, Electrical, Magnetic and Optical Properties)

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概要

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• Using a density functional method with explicit account for strong Coulomb repulsion within the 4f shell, we calculate effective exchange parameters and the corresponding ordering temperatures of the (ferro) magnetic insulating Eu monochalcogenides (EuX; X=O, S, Se, Te) at ambient and elevated pressure conditions. Our results provide quantitative account of the many-fold increase of the Curie temperatures with applied pressure and reproduce well the decrease of ferromagnetic coupling across the EuO-EuTe series. The first J_1 and second J_2 neighbor effective exchange are found to follow different pressure dependencies. Finally, our calculations show explicitly that the mixing of Eu 4f orbitals with the ligand states is necessary for the ferromagnetic ordering to take place at any pressure.

• 2005-05-15

著者

• Ku Wei

  Department Of Computer Science And Information Engineering Fu Jen Catholic University

• KU Wei

  Department of Physics, University of California:(Present address)Department of Physics, Brookhaven National Laboratory

• PICKETT Warren

  Department of Physics, University of California

• KUNES Jan

  Department of Physics, University of California:Institute of Physics, Academy of Sciences of the Czech Republic

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