We have performed full-potential linearized augmented plane wave calculations of the Gd(0001) surface using the local density approximation (LDA) together with the Hubbard total energy functional. The use of instead of LDA total energy calculations leads to a ferromagnetic ground state for both bulk Gd and the Gd surface, in agreement with experimental observation. The calculated downward shift of eigenvalues for the Gd surface is in agreement with experimentally observed binding energies. Surface strain relaxation leads to a 90% enhancement of the interlayer surface-to-bulk effective exchange coupling. Application of a Landau–Ginzburg-type theory yields a 30% enhancement of the Curie temperature at the surface, in very good agreement with the experiment.
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1 May 2000
Research Article|
May 01 2000
Electron correlation effects at the Gd(0001) surface
A. B. Shick;
A. B. Shick
Department of Physics, University of California, Davis, California 95616
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W. E. Pickett;
W. E. Pickett
Department of Physics, University of California, Davis, California 95616
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C. S. Fadley
C. S. Fadley
Department of Physics, University of California, Davis, California 95616
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J. Appl. Phys. 87, 5878–5880 (2000)
Citation
A. B. Shick, W. E. Pickett, C. S. Fadley; Electron correlation effects at the Gd(0001) surface. J. Appl. Phys. 1 May 2000; 87 (9): 5878–5880. https://doi.org/10.1063/1.372553
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