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  • 1
    Electronic Resource
    Electronic Resource
    Variation of the spin density at EF with oxygen adsorption: Fe(110) vs O/Fe(110) : 37th Annual conference on magnetism and magnetic materials (1993)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 73 (1993), S. 6739-6741 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: The spin densities at the Fermi energy for the clean and oxygen adsorbed Fe(110) surfaces calculated using the full potential linearized augmented plane-wave method are found to differ substantially (in sign) from the energy-integrated total spin density previously given in the literature. The energy-sliced spin density becomes negative in the Fe(110) surface-vacuum region despite the enhancement of the surface magnetic moment and is reversed in sign, to positive, by the addition of a p(1×1) oxygen overlayer. Both results have been observed in a recent experiment using spin-polarized metastable atom deexcitation spectroscopy.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.352521
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  • 2
    Electronic Resource
    Electronic Resource
    Theoretical studies of the magneto-crystalline anisotropy: Monolayer Co : 37th Annual conference on magnetism and magnetic materials (1993)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 73 (1993), S. 6745-6747 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Using our newly developed state tracking method and eliminating the coupling between quasidegenerate pairs of states at the Fermi surface in advance, highly stable and precise results for the magneto-crystalline anisotropy energy are obtained for a Co monolayer film in a first principles calculation with a small number of k points (421 in the full Brillouin zone). The easy direction of magnetization is found to lie in the layer plane in contrast to the Fe monolayer when both match their lattice constant to the same Cu(001) substrate. This result is explained in terms of their electron occupation and differences in the spin-orbit coupling between their occupied and empty states.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.352523
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  • 3
    Electronic Resource
    Electronic Resource
    Magnetic anisotropy of Co/Cu(001) caused by Cu coverage (2000)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 87 (2000), S. 6098-6100 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Magnetocrystalline anisotropy energies of the Co/Cu(001) and Cu/Co/Cu(001) systems are studied using the full potential linearized augmented plane wave method. We systematically compare the results obtained by using the generalized gradient approximation (GGA) for the exchange-correlation energy/potential and the local density approximation (LDA) methods. The GGA MCA energy differ remarkably from the LDA data even for the same structural input. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.372621
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  • 4
    Electronic Resource
    Electronic Resource
    Magnetism and magnetostriction in GdFe2 and GdCo2 (1999)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 85 (1999), S. 6217-6219 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Using the density functional full potential linearized augmented plane wave method, the magnetism and magnetostriction of the GdFe2 and GdCo2 compounds are investigated. The calculated magnetostrictive constant, λ001, is negative for GdCo2(−327×10−6), but is positive for GdFe2(+44×10−6), mainly due to different numbers of their valence electrons. These results agree well with experimental data, −1200×10−6 for GdCo2 and +39×10−6 for GdFe2, respectively. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.370226
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  • 5
    Electronic Resource
    Electronic Resource
    Structural and magnetic properties of fcc Pt/Fe(111) multilayers : The 40th annual conference on magnetism and magnetic materials (1996)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 79 (1996), S. 4783-4785 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: The structural, electronic, and magnetic properties of the 2Pt/5Fe/2Pt(111) system were investigated using the total energy full-potential linearized augmented-plane-wave method. The interplanar relaxation, determined by the atomic force approach, was found to be large between the nearest Pt–Fe and Fe–Fe distances, thus altering the electronic and magnetic properties of the system. We find an enhancement of the spin and orbital Fe magnetic moment (2.44 μB) at the interface, and a large induced magnetic moment (0.27 μB) at the interfacial Pt site, which is relatively short ranged. The effects of the interface on the contact hyperfine fields is evaluated: The (negative) core-polarization contribution is found to scale with the moment, but the valence contribution changes from negative in the interior to positive at the interface. The trend of the calculated layer-by-layer hyperfine fields agrees well with experiment. © 1996 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.361671
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  • 6
    Electronic Resource
    Electronic Resource
    Magnetic circular dichroism at the K and L edges of Co and Cu in Co/Cu(001) : The 40th annual conference on magnetism and magnetic materials (1996)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 79 (1996), S. 6500-6502 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: The fcc Co/Cu(001) system is investigated using the full potential linearized augmented plane wave method. Through the atomic force approach, large multilayer relaxations (6.5%, 5.3%, and 2.8%) are found between the adjacent Cu layers, which reduces the total energy by 128 meV. The spin and orbital magnetic moments for Co atoms are 1.79 and 0.12 μB, respectively. At the interfacial Cu site, we found a sizable induced magnetic moment, 0.05 μB, which can be split into d (0.074 μB) and s,p(0.024 μB) contributions. Interestingly, the spin polarization of d and s,p states can be detected separately through the magnetic circular dichroism at the L and K edges, for which the calculated results agree very well with experiments. © 1996 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.361982
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  • 7
    Electronic Resource
    Electronic Resource
    First principles determinations of magnetostriction in transition metals (invited) : The 40th annual conference on magnetism and magnetic materials (1996)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 79 (1996), S. 6209-6212 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: The mechanism of magnetostriction in transition metal bulk (fcc Co) and thin films [Co/Pd(001) and Co/Cu(001)] is investigated using the ab initio full potential linearized augmented plane wave method. With the aid of the state tracking and torque approaches the magnetocrystalline anisotropy energy, the essential ingredient of the magnetostriction, is found to be a linear function of the interlayer distances. The calculated magnetostrictive coefficients and magnetoelastic coupling constants for bulk fcc Co agree very well with experiment. The calculated λ001 at the Co/Pd(001) interface is much larger in magnitude (+2.3×10−4) and differs in sign compared to that for Co/Cu(001)(−5.7×10−5). In these thin films, the hybridization between the Co- dxz,yz and the underlying substrate d states is found to play the key role. © 1996 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.362073
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  • 8
    Electronic Resource
    Electronic Resource
    Local spin-density theory of interface and surface magnetocrystalline anisotropy: Pd/Co/Pd(001) and Cu/Co/Cu(001) sandwiches : 38th Annual Conference On Magnetism and Magnetic Materials (1994)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 75 (1994), S. 6409-6411 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: The interface magnetocrystalline anisotropy (MCA) of Cu/Co/Cu(001) and Pd/Co/Pd(001) sandwiches are investigated, employing our recently developed state tracking approach based on the full potential linearized augmented plane wave energy band method. The strong negative MCA energy for the Co monolayer is found to be decreased for Co/Cu, and even becomes positive for Co/Pd due to the interfacial hybridization, which reduces the spin orbit coupling (SOC) between the dxz,yz − dz2 pair at M¯.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.355367
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  • 9
    Electronic Resource
    Electronic Resource
    Validity and the applicablity of magnetic-circular-dichroism sum rules for transition metals (invited) : 38th Annual Confrerence on Magnetism and Magnetic Materials (1994)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 75 (1994), S. 5802-5806 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: X-ray magnetic-circular-dichroism (MCD) spectra are calculated using the thin film full potential linearized augmented plane wave energy band method for transition metal surfaces. Together with a model analysis, a clear physical insight is provided for this new and exciting phenomenon. The MCD sum rule for the orbital moments originally derived from a single ion model are found to be valid to within 5–10% even in the band approach which treats the strongly hybridized multiband structure. However, the spin sum rule may result in a larger error due to the effects of s,p−d hybridization. In addition, the magnetic dipole term is very important in the spin sum rule, especially for atoms with lower local symmetry.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.355570
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  • 10
    Electronic Resource
    Electronic Resource
    First principles investigations of 4d magnetism on C(0001) : The 41st annual conference on magnetism and magnetic materials (1997)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 81 (1997), S. 4161-4163 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Possible 4d magnetism in X/C(0001) (X=Pd, Rh, and Ru) is investigated using the full potential linearized augmented plane wave method. We find that while small magnetic moments of 0.24 and 0.28 μB can survive for Rh and Ru on C(0001), the magnetism of Pd is completely diminished. Due to the unexpectedly strong interfacial interaction between the overlayer and the flat C(0001) substrate, the magnetic moment is very sensitive to changes in the interlayer distances. © 1997 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.365166
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