• Progress in Superconductivity
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• v.12 no.2
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• pp.110-113
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• 2011

We have grown a Nb/Gd bilayer on a$SiO_2$/Si substrate by using a DC magnetron sputtering system, which was fabricated in situ with silicon stencil masks. In order to investigate proximity effect of the Nb/Gd bilayer, we used a planar tunnel junction with an AlOx tunnel barrier by oxidizing the Al ground electrode at the bottom. A $Co_{60}Fe_{40}$ backing of Al was deposited so as to reduce the superconductivity of the Al, ensuring a normal counterelectrode. With a 50-nm-thick Nb layer, we have measured dI/dV (dynamic conductance) by varying the thickness of Gd, which can reveal the density of states (DOS) of the Nb/Gd bilayer as a function of the Gd thickness resulting from the proximity effect of a superconductor/ferromagnet bilayer (S/F). The SF proximity effect in Nb/Gd will be discussed in comparison to our previous results of the CoFe/Nb, Ni/Nb and CuNi/Nb proximity effect; Gd is expected to show different effects since Gd has f-electrons, while CoFe, Ni, and CuNi have only d-electrons. Our studies will focus on the triplet correlation in a superconducting pair.

• Korean Journal of Materials Research
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• v.12 no.4
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• pp.274-278
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• 2002

Discrete-variational(DV)-$X{\alpha}$ method was applied to investigate the electronic structures of spinel- type manganese oxide which is well known to the high performance adsorbent or cathode material for lithium ion. The results of DOS(density of states) and Mulliken population analysis showed that Li was nearly fully ionized and interactions between Mn and O were strong covalent bond. The effective charge of Li and Mn was +0.77 and +1.44 respectively and the overlap population between Mn and O was 0.252 in $LiMn_2O_4$. These results from DV-X$\alpha$ method were well coincided with the experimental result by XPS analysis and supported the feasibility of theoretical interpretation for the $LiMn_2O_4$ compound.

• Journal of Magnetics
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• v.12 no.3
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• pp.97-102
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• 2007

We have investigated the electronic structures and magnetism of a full Heusler alloy $Co_2CrGa(001)$ surface by using the all-electron full-potential linearized augmented plane wave (FLAPW) method within the generalized gradient approximation (GGA). We considered two types of different terminations: the Co-terminated (Co-Term) and the CrGa-terminated (CrGa-Term) surfaces. From the calculated layer-projected density of states (LDOS), we found that the surface of the CrGa-Term shows nearly half-metallic character while that of the Co-Term is far from the half-metallic. For the Co-Term, the surface Co atom moves down to the bulk region by $0.05{\AA}A$, while the subsurface Cr and Ga atoms move up to the surface layer by 0.05 and $0.01{\AA}$, respectively. For the CrGa-Term, there is a large inward relaxation of the surface Ga atom $(0.07{\AA})$, but the relaxation of the surface Cr atom is very small $(0.01{\AA})$. The relaxations affect not much to the overall shapes of DOS for both terminations, but make the surface states of the surface Cr and Ga atoms for the CrGa-Term shift to higher energy that enhances the nearly half-metallic character of the CrGa-Term. The magnetic moments of the surface $Cr(2.98{\mu}_B)$ in the CrGa-Term and the surface $Co(1.17{\mu}_B)$ in the Co-Term were much increased compared to those of the inner-layers $(1.79\;and\;0.77{\mu}_B)$, respectively, while that of the subsurface Cr atom in the Co-Term was decreased to $1.19{\mu}_B$.

• Nuclear Engineering and Technology
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• v.55 no.7
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• pp.2556-2566
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• 2023

A first-principle approach within the framework of density functional theory was employed to study the effect of vacancy defects and fission products (FPs) doping on the mechanical, electronic, and thermodynamic properties of uranium monocarbide (UC). Firstly, the calculated vacancy formation energies confirm that the C vacancy is more stable than the U vacancy. The solution energies indicate that FPs prefer to occupying in U site rather than in C site. Zr, Mo, Th, and Pu atoms tend to directly replace U atom and dissolve into the UC lattice. Besides, the results of the mechanical properties show that U vacancy reduces the compressive and deformation resistance of UC while C vacancy has little effect. The doping of all FPs except He has a repairing effect on the mechanical properties of U_1-xC. In addition, significant modifications are observed in the phonon dispersion curves and partial phonon density of states (PhDOS) of UC_1-x, Zr_xU_1-xC, Mo_xU_1-xC, and Rh_xU_1-xC, including narrow frequency gaps and overlapping phonon modes, which increase the phonon scattering and lead to deterioration of thermal expansion coefficient (α_V) and heat capacity (C_p) of UC predicted by the quasi harmonic approximation (QHA) method.

• Journal of Information Display
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• v.9 no.4
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• pp.21-29
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• 2008

We studied both the wavelength and intensity dependent photo-responses (photofield-effect) in amorphous In-Ga-Zn-O (a-IGZO) thin-film transistors (TFTs). During the a-IGZO TFT illumination with the wavelength range from $460\sim660$ nm (visible range), the off-state drain current $(I_{DS_off})$ only slightly increased while a large increase was observed for the wavelength below 400 nm. The observed results are consistent with the optical gap of $\sim$3.05eV extracted from the absorption measurement. The a-IGZO TFT properties under monochromatic illumination ($\lambda$=420nm) with different intensity was also investigated and $I_{DS_off}$ was found to increase with the light intensity. Throughout the study, the field-effect mobility $(\mu_{eff})$ is almost unchanged. But due to photo-generated charge trapping, a negative threshold voltage $(V_{th})$ shift is observed. The mathematical analysis of the photofield-effect suggests that a highly efficient UV photocurrent conversion process in TFT off-region takes place. Finally, a-IGZO mid-gap density-of-states (DOS) was extracted and is more than an order of magnitude lower than reported value for hydrogenated amorphous silicon (a-Si:H), which can explain a good switching properties observed for a-IGZO TFTs.

• Journal of the Korean Chemical Society
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• v.53 no.3
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• pp.266-271
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• 2009

In the recently synthesized rare earth transition metal carbide $La_7O_{s4}C_9$ one finds one-dimensional organometallic $[O_{s4}C_9]^{21-}$ polymers embedded in a $La^{3+}$ ionic matrix. The electronic structure of the polymeric $[O_{s4}C_9]^{21-}$ chain was investigated by density of states (DOS) and crystal orbital overlap population (COOP), using the extended Huckel algorithm. A fragment molecular orbital analysis is used to study the bonding characteristics of the $C_2$ units in $La_7O_{s4}C_9$ containing $C_2$ units and single C atoms as well. The title compound contains partially filled Os and carbon bands leading to metallic conductivity. As the observed distances already indicated, the calculations show extensive Os-C interactions. The C-C bond distance in the diatomic $C_2$ units ($d_{C-C}$=131 pm) in the solid is significantly increased relative to $${C_2}^{2-}$$ or acetylene, because antibonding $1{\pi}_g$ orbitals are partially filled by the Os-$C_2(1\;{\pi}_g)$ bonding contribution found at and below the Fermi level.