• Proceedings of the Korean Vacuum Society Conference
• /
• 2013.08a
• /
• pp.127.1-127.1
• /
• 2013

Recent experimental evidence that fluorinated graphene creates local magnetic moments around F adatoms has not been supported by semilocal density-functional theory (DFT) calculations where the adsorption of an F adatom induces no magnetic moment in graphene. Here, we show that such an incorrect prediction of the nonmagnetic ground state is due to the self-interaction error inherent in semilocal exchange-correlation functionals. The present hybrid DFT calculation for an F adatom on graphene predicts not only a spin-polarized ground state with a spin moment of ${\sim}1{\mu}_B$, but also a long-range spin polarization caused by the bipartite nature of the graphene lattice as well as the induced spin polarization of the graphene states. The results provide support for the experimental observations of local magnetic moments in fluorinated graphene.

• Journal of the Semiconductor & Display Technology
• /
• v.9 no.3
• /
• pp.1-4
• /
• 2010

First-principles calculations based on spin density functional theory are performed to study the spin-resolved electronic properties of AlN doped with a Cu concentration of 6.25%-18.75%. The ferromagnetic state is more energetically favorable state than the antiferromagnetic state or the nonmagnetic state. For $Al_{0.9375}Cu_{0.0625}N$, a global magnetic moment of 1.26 mB per supercell, with a localized magnetic moment of 0.75 $m_B$ per Cu atom is found. The magnetic moment is reduced due to an increase in the number of Cu atoms occupying adjacent cation lattice position. For $Al_{0.8125}Cu_{0.1875}N$, the magnetism of the supercell disappears by the interaction of the neighboring Cu atoms. The nonmagnetic to ferromagnetic phase transition is found to occur at this Cu concentration. The range of concentrations that are spin-polarized should be restricted within very narrow.

• Current Applied Physics
• /
• v.18 no.11
• /
• pp.1182-1184
• /
• 2018

The combination of angular spin momentum with electronics is a promising successor to charge-based electronics. The conduction bands in GaAs may become spin-polarized via optical spin pumping, doping with magnetic ions, or induction of a moment with an external magnetic field. We investigated the spin populations in GaAs with x-ray magnetic circular dichroism for each of these three cases. We find strong anti-symmetric lineshapes at the Ga $L_3$ edge indicating conduction band spin splitting, with differences in line width and amplitude depending on the source of spin polarization.

• Journal of the Korean Magnetics Society
• /
• v.20 no.5
• /
• pp.201-205
• /
• 2010

X-ray magnetic circular dichroism (XMCD) has been used as an important tool of magnetics due to its unique abilities to measure element-specific magnetic properties and to separate the orbital and the spin magnetic moments. These abilities allow researchers to access the microscopic origin of the magnetic properties of transition metal and rare earth compounds. In this report, I explain the principle of XMCD and the experimental set-up. Recent a few research examples using XMCD will be also introduced.

• Journal of the Korean Vacuum Society
• /
• v.6 no.S1
• /
• pp.53-58
• /
• 1997

It is well known that the equiatomic FeAl alloy crystallizes in a paramagnetic CsCl structure and is very stable in a wide temperature range owing to a significant charge transfer from Al to Fe. A presence of structural defects normally enhances the magnetic and magneto-optical properties of this alloy. In this study spin-resolved photoemission and magnetic circular dichroism (MCD) were carried out on both ordered and disordered $Fe_{0.52}Al_{0.48}$ alloy films. The disordered state in the alloy films was obtained by a vapor quenching deposition on cooled substrates. It is shown that the order-disorder transition in the Fe0.52Al0.48 alloy films leads to a significant change in the spin polarization. Form the MCD results the orbital and spin magnetic moments of the constituent atoms are obtained. According to the sum rule the spin and orbital magnetic moments of Fe in the disordered FeAl film are $\mu\frac{SR}{spin}=0.8\mu_B$ and $\mu\frac{SR}{orb}=0.14\mu_B$ respectively. The spin magnetic moment is also evaluated to be $\mu\frac{BR}{spin}=0.77\mu_B$ by the branching ration method employing a photon polarization of 90%.

• Progress in Superconductivity and Cryogenics
• /
• v.19 no.3
• /
• pp.23-26
• /
• 2017

We have studied magnetic and transport properties of NbN/FeN/Cu/FeN/FeMn spin-valve structure. In-plane magnetic moment exhibited typical hysteresis loops of spin valves in the normal state of NbN film at 20 K. On the other hand, the magnetic hysteresis loop in the superconducting state exhibited more complex behavior in which exchange bias provided by antiferrmagnetic FeMn layer to adjacent FeN layer was disturbed by superconductivity. Because of this, the ideal superconducting spin-valve effect was not detected. Instead the stray field originated from unsaturated magnetic states dominated the transport properties of NbN/FeN/Cu/FeN/FeMn multilayer.

• Journal of the Korean Magnetics Society
• /
• v.16 no.4
• /
• pp.193-196
• /
• 2006

The magnetic properties of Ni nanowires consisting of one to four atoms are investigated by mean of ab initio spin-polarized density functional calculations. Stability of zigzag-square $Ni_4$ nanowire is larger than $Ni_4$ nanowires with square. The magnetic moment of linear $Ni_1$ is $1.34{\mu_B}/atom$, which is the largest magnitude among moments of five Ni nanowires. The magnetic moment of Ninanowires show to be decreased by increasing the number of atoms in unit cell. The smallest moment is $0.91 {\mu_B}/atom$ for square $Ni_4$ nanowire. The spin polarization of zigzag-square $Ni_4$ nanowire is 32% higher than that of fcc bulk Ni.

• Journal of Magnetics
• /
• v.13 no.1
• /
• pp.7-10
• /
• 2008

The structural and magnetic properties of functionalized carbon chains doped with 4d transition metals, such as Ru, Rh, and Pd, were investigated using the full-potential linearized augmented plane wave (FLAPW) method. The carbon nanowire doped with Ru exhibited a ferromagnetic ground state with a sizable magnetic moment, while those doped with Rh and Pd had nonmagnetic ground states. For the Ru-doped chain, the density of states at the Fermi level showed large spin polarization, which suggests that the doped nanowire could be used for spintronic applications.

• Journal of Magnetics
• /
• v.13 no.3
• /
• pp.85-87
• /
• 2008

I report a simple method to correct the saturation effect in absorption spectra measured in total electron yield (TEY) mode. It does not require additional measurements of the X-ray penetration depth. In order to check the reliability of the method, X-ray magnetic circular dichroism (XMCD) spectra for polycrystalline Fe were measured at two different incident angles, and then processed with the method. The two resultant XMCD spectra were identical, and their sum rule analysis produced the ratios of orbital magnetic moment to spin magnetic moment, which were very close to the well-known value.

• Journal of Magnetics
• /
• v.13 no.4
• /
• pp.124-127
• /
• 2008

The magnetic and electronic properties of Ni impurity in bcc Fe ($Ni_1Fe_{26}$) are investigated using the full potential linearized augmented plane wave (FLAPW) method based the generalized gradient approximation (GGA). We found that the Ni impurity in bcc Fe increases both the lattice constant and the magnetic moment of bcc Fe. The calculated equilibrium lattice constant of $Ni_1Fe_{26}$ in the ferromagnetic state was 2.84 A, which is slightly larger than that of bcc Fe (2.83 ${\AA}$). The averaged magnetic moment per atom of $Ni_1Fe_{26}$ unit cell was calculated to be $2.24{\mu}_B$, which is greater than that of bcc Fe (2.17 ${\mu}_B$). The enhancement of magnetic moment of $Ni_1Fe_{26}$ is mainly contributed by the nearest neighbor Fe atom of Ni, i.e., Fe1, and this can be explained by the spin flip of Fe1 d states. The density of states shows that Ni impurity forms a virtual bound state (VBS), which is contributed by Ni $e_{g{\downarrow}}$ states. We suggest that the VBS caused by the Ni impurity is responsible for the spin flip of Fe1 d states.