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  • American Institute of Physics (AIP)  (6)
  • 1
    Electronic Resource
    Electronic Resource
    The effect of Mn on the magnetic properties of YFe2 : The 6th joint magnetism and magnetic materials (MMM)-intermag conference (1994)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 76 (1994), S. 7043-7045 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: The fully self-consistent discrete variational method within the local-spin-density framework has been employed to obtain the electronic structure and magnetic moments of the Mn-containing cubic Laves phase pseudobinary compound of YFe2. The calculated results show that the substitution of Mn atoms on Fe sites weakens the ferromagnetism of this compound. The magnetic moments on distinct atomic sites were derived from the calculation. We found that when the Fe atom has one Mn atom in its nearest neighbor sites, its magnetic moment decreases rapidly, while the Mn moment is 0.71μB, parallel to the Fe moment. Based upon our results, the various experimental data have been satisfactorily explained.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.358042
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    Electronic structure and magnetic properties of R2Fe17Nx (x=0,3,4) and R2Fe17Cx (x=0,3), (R=Sm,Nd) : 37th Annual conference on magnetism and magnetic materials (1993)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 73 (1993), S. 6916-6918 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: The electronic structure and magnetic properties of rare-earth iron compounds R2Fe17Nx (x=0,3,4) and R2Fe17Cx (x=0,3) (R=Sm,Nd) have been studied by the self-consistent, spin-polarized local spin density functional theory calculations. Several cluster models were used to study the electronic structure of these compounds. For the R2Fe17Nx and R2Fe17Cx (x=0,3), the 9(e) sites in a unit cell are considered as occupied by N or C atoms. The additional N atom in the x=4 case is considered as occupying the 3(b) sites. The distribution of electrons and the magnetic moments for four kinds of crystalline inequivalent Fe atoms, Sm (Nd) and N(C) are calculated. The role of N or C atom in above compounds were discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.352433
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    Paper (German National Licenses)
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  • 3
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    Current-driven domain wall motion enhanced by the microwave field (2014)
    American Institute of Physics (AIP)
    Details
    Publication Date: 2014-07-11
    Description: The magnetic domain wall (DW) motion driven by a spin-polarized current opens a new concept for memory and logic devices. However, the critical current density required to overcome the intrinsic and/or extrinsic pinning of DW remains too large for practical applications. Here, we show, by using micromagnetic simulations and analytical approaches, that the application of a microwave field offers an effective solution to this problem. When a transverse microwave field is applied, the adiabatic spin-transfer torque (STT) alone can sustain a steady-state DW motion without the sign of Walker breakdown, meaning that the intrinsic pinning disappears. The extrinsic pinning can also be effectively reduced. Moreover, the DW velocity is increased greatly for the microwave-assisted DW motion. This provides a new way to manipulate the DW motion at low current densities.
    Print ISSN: 0021-8979
    Electronic ISSN: 1089-7550
    Topics: Physics
    Published by American Institute of Physics (AIP)
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  • 4
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    Realizing stable fully spin polarized transport in SiC nanoribbons with dopant (2016)
    American Institute of Physics (AIP)
    Details
    Publication Date: 2016-06-10
    Description: Intrinsic half-metallicity recently reported in zigzag edged SiC nanoribbons is basically undetectable due to negligible energy difference between the antiferromagnetic (AFM) and ferromagnetic (FM) configurations. In this Letter, by density functional theory calculations, we demonstrate a scheme of N doping at the carbon edge to selectively close the edge state channel at this edge and achieve 100% spin filtering, no matter whether it is in an AFM state or FM state. This turns SiC nanoribbon into a promising material for obtaining stable and completely spin polarized transport and may find application in spintronic devices.
    Print ISSN: 0003-6951
    Electronic ISSN: 1077-3118
    Topics: Physics
    Published by American Institute of Physics (AIP)
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  • 5
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    Metalized T graphene: A reversible hydrogen storage material at room temperature (2014)
    American Institute of Physics (AIP)
    Details
    Publication Date: 2014-09-17
    Description: Lithium (Li)-decorated graphene is a promising hydrogen storage medium due to its high capacity. However, homogeneous mono-layer coating graphene with lithium atoms is metastable and the lithium atoms would cluster on the surface, resulting in the poor reversibility. Using van der Waals-corrected density functional theory, we demonstrated that lithium atoms can be homogeneously dispersed on T graphene due to a nonuniform charge distribution in T graphene and strong hybridizations between the C-2 p and Li-2 p orbitals. Thus, Li atoms are not likely to form clusters, indicating a good reversible hydrogen storage. Both the polarization mechanism and the orbital hybridizations contribute to the adsorption of hydrogen molecules (storage capacity of 7.7 wt. %) with an optimal adsorption energy of 0.19 eV/H 2 . The adsorption/desorption of H 2 at ambient temperature and pressure is also discussed. Our results can serve as a guide in the design of new hydrogen storage materials based on non-hexagonal graphenes.
    Print ISSN: 0021-8979
    Electronic ISSN: 1089-7550
    Topics: Physics
    Published by American Institute of Physics (AIP)
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  • 6
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    The magnetic origin of multiferroic Y2CoMnO6 (2015)
    American Institute of Physics (AIP)
    Details
    Publication Date: 2015-03-17
    Description: It has been found experimentally that the ferroelectricity in Y 2 CoMnO 6 is driven by a magnetic ordering of collinear up-up-down-down ( ↑ ↑ ↓ ↓ ). Here, the origin of the magnetism and thereby ferroelectricity is studied using first-principles calculations. We first confirm that the experimentally observed ↑ ↑ ↓ ↓ antiferromagnetic structure is the ground state of Y 2 CoMnO 6 . Additionally, both the Co 2+ and Mn 4+ are in the high-spin state. By analyzing the exchange coupling and corresponding pathways, we conclude that the ↑ ↑ ↓ ↓ spin order in Y 2 CoMnO 6 originates from a subtle competition between the ferromagnetic Co-O-Mn super-exchange and antiferromagnetic Co-Mn direct-exchange along c axis.
    Print ISSN: 0021-8979
    Electronic ISSN: 1089-7550
    Topics: Physics
    Published by American Institute of Physics (AIP)
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