• Journal of the Korean Chemical Society
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• v.43 no.2
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• pp.141-149
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• 1999

The correlation was investigated between the observed heat of ligation and calculated quantum chemical quantities for octahedral $[M(H_2O)_{6-x}(NH_3)_x]^{2+} (M=Fe(II),\;Ni(II))$ complexes by EHMO(Extended Huckel Molecular Orbital) and ZINDO/1(Zerner's Intermediate Neglected of Differential Overlap)method. The net charge of $Fe^{2+}$ and $Ni^{2+}$ ion of octahedral $[M(H_2O)_{6-x}(NH_3)_x]^{2+}(M=Fe(II),\;Ni(II))$ complexes(x=O, 1, …, 6) decreased with substituting $NH_3$ for $H_2O$ molecules. It has found that a good correlation exists between the observed heat of ligation and the calculated quantum chemical quantities such as net charge of central atom, enthalpy of formation, and total dissociation energy. From this finding, we have obtained the following semiempirical linear equation ${\Delta}H_{obs}=-0.2858_{qFe}+0.8813(r=0.97),\;{\Delta}H_{obs}=-0.8981_{qNi}+1.7929(r=0.95),\;{\Delta}H_{obs}=-0.0031H_{f(Fe)}+0.5725(r=0.97),\;{\Delta}H_{obs}=-0.0095H_{f(Ni)}+0.9193(r=0.97),\;{\Delta}H_{obs}=0.0476E_{diss(Fe)}+0.6434(r=0.94),\;{\Delta}H_{obs}=0.1401E_{diss(Ni)}+1.1393(r=0.93)$.

• Journal of the Korean Magnetics Society
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• v.7 no.5
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• pp.243-248
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• 1997

The effect of $O_2$ partial pressure on microstructure and soft magnetic properties of as-deposited Fe-Hf-O thin film alloys, which are produced by rf magnetron sputtering method in $Ar+O_2$ mixed gas atmosphere, are investigated. Saturation magnetization ($4{\pi}M_s$) of Fe-Hf-O film were decreased with increasing $O_2$ partial pressure, the best soft magnetic properties exhibit at $O_2$ partial pressure of 10%. With further increase of $O_2$ partial pressure, soft magnetic properties decreased continuously. The $Fe_{82}Hf_{3.4}O_{14.6}$ film with $P_{O2}=10%$ exhibits good soft magnetic properties with $4{\pi}M_s=17.7kG$, $H_c=0.7Oe$ and ${\mu}_ {eff}$ (1~100 MHz)=2,500, respectively. The addition of O is effective in grain refinement. In case of $P_{O2}=15%$, it is observed that $Fe_3O_4$ compound is formed and high frequency soft magnetic properties are decrease. The electrical resistvity($\rho$) of Fe-Hf-O film is increased with increasing $O_2$ partial pressure. Electrical resistivity of $Fe_{82}Hf_{3.4}O_{14.6}$ film was 5 times higher than that of the film without oxygen. Thus, it is considered that the good magnetic properties of $Fe_{82}Hf_{3.4}O_{14.6}$ film results from decreasing the $\alpha$-Fe grain size by precipitates (Hf and O), high electrical resistivity.

• Proceedings of the Korea Association of Crystal Growth Conference
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• 1997.06a
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• pp.139-143
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• 1997

The doping effects of Mg and/or Fe ions on congruent LiNbO$_3$ single crystal growth were studied in order to clarify the roles of MgO in Fe doped LiNbO$_3$ single crystals. The effective distribution coefficienct of Fe was found decreased drastically from 0.85 to 0.5 by the addition of MgO into the LiNbO$_3$ melt. M ssbauer spectra revealed that the addition of MgO reduces the occurrence of Fe2+ ions during growth in air. Therefore, it is likely that there would be two important roles of MgO in Fe doped LiNbO$_3$. One is to suppress the incorporation of all Fe ions, and the other is to reduce the concentration of Fe2+ ions among the total Fe ions.

• Journal of Magnetics
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• v.10 no.4
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• pp.152-156
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• 2005

Effects of the disproportionating hydrogen pressure and alloy composition on the texture in the HDDR-treated Nd-Fe-B particles were examined using the $Nd_{12.6}Fe_{81.4}B_6$ and $Nd_{12.6}Fe_{68.7}B_6Co_{11.0}Ga_{1.0}Zr_{0.l}$ alloys. Disproportionation kinetics of the $Nd_2Fe_{14}B$ phase in the Nd-Fe-B alloy was retarded significantly by the addition of Co, Ga and Zr. The retarded disproportionation kinetics of the $Nd_2Fe_{14}B$ phase ensured a wider processing win­dow in terms of disproportionating hydrogen pressure for achieving a texture in the HDDR-treated Nd-Fe-B alloy particles.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 1999.11a
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• pp.633-636
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• 1999

In this study, we have fabricated amorphous FeZrBAg thin films with low core losses by using DC magnetron sputtering method. After deposition, rotational field annealing (RFA) method was performed in the dc field of 1.5 kOe. The amorphous FeZrBAg thin films produced by annealing at 35$0^{\circ}C$ was founded to have high permeability of 8680 at 100 MHz, 0.2 mOe, low coercivity of 0.86 Oe high magnetization of 1.5 T and very low core loss of 1.3 W/cc at 1 MHz, 0.IT respectively. Excellent soft magnetic properties in a amorphous FeZrBAg thin films in the present study are presumably the homogeneous formation of very fine bcc $\alpha$-Fe crystalline with the 8.2 nm in an amorphous FeZrBAg thin film matrix.

• Journal of Powder Materials
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• v.11 no.1
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• pp.50-54
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• 2004

Nanoparticles of iron oxides have been prepared by the levitational gas condensation (LGC) method, and their structural and magnetic properties were studied by XRD, TEM and Mossbauer spectroscopy. Fe clusters were evaporated from a surface of the levitated liquid Fe droplet and then condensed into nanoparticles of iron oxide with particle size of 14 to 30 nm in a chamber filled with mixtures of Ar and $O_2$ gases. It was found that the phase transition from both $\gamma$-$Fe_2O_3$ and $\alpha$-Fe to $Fe_3O_4$, which was evaluated from the results of Mossbauer spectra, strongly depended on the $O_2$ flow rate. As a result, $\gamma$-$Fe_2O_3$ was synthesized under the $O_2$ flow rate of 0.1$\leq$$Vo_2$(Vmin)$\leq$0.15, whereas $Fe_3O_4$ was synthesized under the $O_2$, flow rate of 0.15$\leq$$Vo_2$(Vmin)$\leq$0.2.

• Progress in Superconductivity
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• v.12 no.1
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• pp.46-50
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• 2010

In the superconducting $Sr_2VO_3FeAs$, containing bimetallic layers, with maximum $T_c{\approx}\;46\;K$ correlation effects on V ions have been investigated using LDA+U method. Within the local density approximation (LDA) this system has the one-third filled $t_{2g}$ manifold of V, decomposed into $d_{xy}$ of bandwidth W=2 eV and nearly degenerate $d_{zx}d_{yz}$ of W=1 eV. Consideration of correlation effects leads to a metal-insulator transition on V ions $t^{2\uparrow}_{2g}\;{\rightarrow}\;d^{1\uparrow}_{xz}\;d^{1\uparrow}_{yz}$ at the critical on-site Coulomb repulsion $U_c$= 3.5 eV. At U=4 eV, the electronic structure, in which V ions are insulating, leads to several van Hove singularities near $E_F$ and similar Fermiology with other pnictides. Applying U to V ions results in increasing Fe moment as well as V moment, indicating somewhat hybridization between Fe and V ions even though this system is strongly 2-dimesional. Our results show possible importance of correlation effects on this system.

• Bulletin of the Korean Chemical Society
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• v.33 no.11
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• pp.3625-3628
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• 2012

Fluorescent organic molecules that respond to changes in the $Fe^{2+}$ concentration with selectivity to other abundant di-valent metal ions will offer the ability to understand the dynamic fluctuations of the $Fe^{2+}$ ion in interesting media. The use of 6-Br-ppmbi, derived from 2-pyridin-2-yl-benzimidazole, for metal ion-selective fluorescence recognition was investigated. Screening of the main group and transition metal ions showed exclusive selectivity for $Fe^{2+}$ ions even in the presence of competing metal ions. In addition, the requirement for low concentrations of probe molecules to detect certain amounts of $Fe^{2+}$ ions make this sensor unique compared to previously reported $Fe^{2+}$ ion sensors.

• Korean Journal of Crystallography
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• v.9 no.2
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• pp.107-113
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• 1998

Ar하에서 trans-FeHCl(dppe)2, 1을 4-chlorobutyronitrile에 녹이면, 착물 trans-[FeH(NCCH2CH2CH2Cl)(dppe)2]Cl, 2가 생성되고, 2는 NaBF4와 반응하여 착물 trans-[FeH(NCCH2CH2CH2Cl)(dppe)2][BF4], 3로 변환된다. 착물 3의 결정학 자료: 단사정계 공간군 P21/c, a=13.540(2) , b=17.058(3) , c=21.853(4) , β=90.15(1)o, Z=4, R(wR2)=0.0524(0.1239).

• Transactions of the Korean hydrogen and new energy society
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• v.13 no.2
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• pp.143-150
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• 2002

The thermal behavior of $(Co_{0.5}\;Mn_{0.5})Fe_2O_4$ prepared by a co-precipitation wasinvestigated for Hz generation by the thermochemical cycle. The reduction reaction of $(Co_{0.5}\;Mn_{0.5})Fe_2O_4$ started from $480^{\circ}C$, and the weight loss was 1.6 wt% up to $1100^{\circ}C$. At this reaction, $(Co_{0.5}\;Mn_{0.5})Fe_2O_4$ was reduced by release of oxygen bonded with the $Fe^{3+}$ ion in the B site of ($CO_{0.5}$ $(Co_{0.5}\;Mn_{0.5})Fe_2O_4$. In the $H_2O$ decomposition reaction, $H_2$ was generated by oxidationof reduced $(Co_{0.5}\;Mn_{0.5})Fe_2O_4$. The crystal structure of $(Co_{0.5}\;Mn_{0.5})Fe_2O_4$ for reduction reaction maintained spinel structure and the lattice constant of $(Co_{0.5}\;Mn_{0.5})Fe_2O_4$ ($8.41\AA$) was enlarged to $8.45\AA$. But the lattice constant of $(Co_{0.5}\;Mn_{0.5})Fe_2O_4$ after $H_2O$ decomposition reaction did not change to $8.45\AA$. Then, $(Co_{0.5}\;Mn_{0.5})Fe_2O_4$ is excellent material in the thermochemical cyclic reaction due to release oxygen at low temperature for the reduction reaction and produce $H_2$ maintaining crystal structure for redox reaction.