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

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

• Nuclear Engineering and Technology
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• v.51 no.5
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• pp.1373-1380
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• 2019

Besides promising implications as fertile nuclear materials, thorium carbonitrides are of great interest owing to their peculiar physical and chemical properties, such as high density, high melting point, good thermal conductivity. This paper reports first-principles simulation results on the structural, electronic and magnetic properties of cubic thorium carbonitrides $ThC_xN_{(1-x)}$ (X = 0.03125, 0.0625, 0.09375, 0.125, 0.15625) employing formalism of density-functional-theory. For the simulation of physical properties, we incorporated full-potential linearized augmented plane-wave (FPLAPW) method while the exchange-correlation potential terms in Kohn-Sham Equation (KSE) are treated within Generalized-Gradient-Approximation (GGA) in conjunction with Perdew-Bruke-Ernzerhof (PBE) correction. The structural parameters were calculated by fitting total energy into the Murnaghan's equation of state. The lattice constants, bulk moduli, total energy, electronic band structure and spin magnetic moments of the compounds show dependence on the C/N concentration ratio. The electronic and magnetic properties have revealed non-magnetic but metallic character of the compounds. The main contribution to density of states at the Fermi level stems from the comparable spectral intensity of Th (6d+5f) and (C+N) 2p states. In comparison with spin magnetic moments of ThSb and ThBi calculated earlier with LDA+U approach, we observed an enhancement in the spin magnetic moments after carbon-doping into ThN monopnictide.

• Journal of the Korean Magnetic Resonance Society
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• v.15 no.1
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• pp.40-53
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• 2011

The NMR spectra of $Li_3Rb(SO_4)_2$ crystals and their relaxation processes were investigated by using $^7Li$ and $^{87}Rb$ NMR. The relaxation rates of the $^7Li$ and $^{87}Rb$ nuclei in the crystals were found to increase with increasing temperature, and can be described by the relation $T_1^{-1}{\propto}AT^2$. The dominant relaxation mechanism for these nuclei with electric quadrupole moments is provided by the coupling of these moments to the thermal fluctuations of the local electric field gradient via Raman spin-phonon processes.

• Journal of Magnetics
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• v.11 no.1
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• pp.20-24
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• 2006

Very recently, it was presented that the one dimensional (1D) CuO atomic chains can maintain large magnetic moments. In this work, we analyzed m-resolved density of states (DOS) to understand the peculiar spin polarization occurred in Cu atoms. It was found that the $\mid{m}\mid=1$ states play an essential role in the spin polarization of Cu atoms. In addition, we calculated magnetic anisotropy energy (MAE) and observed that the distribution of MAE is strongly sensitive to the interatomic distance between Cu and O atoms. Besides, it was revealed that the contribution to MAE comes for the second half of Brillouin zone (BZ).

• Proceedings of the Korean Magnestics Society Conference
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• 2002.12a
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• pp.148-149
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• 2002

In recent years, semiconductor spintronics has been rapidly developing due to potential device applications, in which the spin of charge carriers (electrons or holes) provides novel functionalities to carry signals and process information. Diluted magnetic semiconductors (DMSs) are well known to exhibit intriguing properties such as carrier-mediated ferromagnetism and spin-dependent transport resulting from the coupling between the charge transport states and the magnetic moments (spin) [1-3]. (omitted)

• Journal of the Korean Magnetic Resonance Society
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• v.10 no.2
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• pp.197-202
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• 2006

[ $^{11}B$ ] nuclear magnetic resonance (NMR) measurements were performed on the single crystals of $TbB_4$ to investigate local electronic structure and 4f spin dynamics. $^{11}B$ NMR spectrum, Knight shift, spin-lattice and spin-spin relaxation rates were measured down to 4K at 8T. $^{11}B$ NMR shift and linewidth are huge and strongly temperature dependent due to the 4f moments. In addition, both are proportional to magnetic susceptibility, indicating that the hyperfine field at the boron site originates from the 4f spins of Tb. Below $T_N$, the single broad resonance peak of $^{11}B$ NMR splits into several peaks reflecting the local magnetic fields due to antiferromagnetic spin arrangements. The longitudinal and the transverse relaxation rates, $1/T_1\;and\;1/T_2$, independent of temperature above $T_N$, decreases tremendously confirming huge suppression of spin fluctuation below $T_N$.

• Journal of the Korean Chemical Society
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• v.24 no.2
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• pp.91-100
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• 1980

A formula for calculation of the magnetic moments for octahedral $[Ti(III)A_3B_3]$ type complexes with axial symmetry has been developed and the magnetic moments for these complexes are calculated, using the experimental values of the distortion parameters$({\delta})$, spin-orbit coupling constants and orbital reduction factors. The calculated magnetic moments for axially distorted octahedral $[Ti(III)A_3B_3]$ type complexes are in resonable agreement with the experimental valuest It is found that the calculated magnetic moments decrease as the extent of axial distortion increases and the orbital reduction factor decreases. A calculation method of the magnetic moments for octahedral $[Ti(III)A_3B_3]$ type complexes which are in a ligand field of lower than axial symmetry has also been developed and the structure of distorted octahedral $[Ti(III)A_3B_3]$ type complexes are discussed on the basis of the of the calculated magnetic moments.

• Proceedings of the Materials Research Society of Korea Conference
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• 2003.03a
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• pp.19-19
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• 2003

The injection of spins into nonmagnetic semiconductors has recently attracted great interest due to the potential to create new classes of spin-dependent electronic devices. A recent strategy to achieve control over the spin degree of freedom is based on dilute ferromagnetic semiconductors. Ferromagnetism has been reported in various semiconductor groups including II-Ⅵ, III-V, IV and II-IV,-V$_2$, which will be reviewed. On the other hand, to date the low solubility of magnetic ions in non-magnetic semiconductor hosts and/or low Curie temperature have limited the opportunities. Therefore the search for other promising ferromagnetic semiconducting materials, with high magnetic moments and high Curie temperatures (Tc), is of the utmost importance. In this talk, we also introduce new pure ferromagnetic semiconductors, MnGeP$_2$ and MnGeAs$_2$, exhibiting ferromagnetism and a magnetic moment per Mn at 5K larger than 2.40 ${\mu}$B. The calculated electronic structures using the FLAPW method show an indirect energy gap of 0.24 and 0.06 eV, respectively. We have observed spin injection in MnGeP$_2$ and MnGeAs$_2$ magnetic tunnel junctions through semiconducting barriers.

• Proceedings of the Korean Magnestics Society Conference
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• 2002.12a
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• pp.42-43
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• 2002

Spintronics is a rapidly expanding research area because of recent developments in the physics of spin-dependent phenomena. For use as spintronic materials, dilute magnetic semiconductors (DMS) are of considerable interest as spin injectors for spintronic devices.$^{[1]}$ Many researchers have studied DMS, in which transition metal atoms are introduced into the lattice, thus inserting local magnetic moments into the lattice. (omitted)