• Journal of the Korean Magnetics Society
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• v.17 no.5
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• pp.215-220
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• 2007

The superexchange interaction is introduced to explain antiferromagnetic ordering in transition metal compounds such as MnO and $MnF_2$. The anisotropic superexchange (Dzyaloshinskii-Moriya: DM) interaction can be derived by incorporating the spin-orbit interaction into the superexchange interaction. The anisotropic superexchange DM can account for the weak ferromagnetism observed in transition metal compounds such as ${\alpha}-Fe_2O_3$, $MnCO_3$, $CrF_3$.

• Journal of the Korean Magnetics Society
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• v.3 no.3
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• pp.173-178
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• 1993

We have calculated the reduced spontaneous magnetization in different environments and average value as func¬tion of reduced temperature of the magnetic ions(Fe) for A(tetrahedral) and B(octahedral) sites in spinel ferrites $AB_{2}O_{4}$ using A-O-B superexchange interaction. The reduced spontaneous magnetization and average value by A-O-B superexchange interaction are compared with that by A-B direct interaction. To contrast A-O-B superexchange interaction with A-B direct interaction, $M\"{o}ssbauer$ spectra from previous two interactions are obtained.

• Proceedings of the Korean Ceranic Society Conference
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• 2003.10a
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• pp.239.1-239
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• 2003

• Bulletin of the Korean Chemical Society
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• v.32 no.2
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• pp.467-471
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• 2011

Spin exchange interactions of $(C_2N_2H_{10})[Fe(HPO_3)F_3]$ were examined by performing a spin dimer analysis based on extended Huckel tight binding method and a mapping analysis based on first principles density functional theory. Spin exchange interactions occur through the super-superexchange paths $J_1$ and $J_2$ in $(C_2N_2H_{10})[Fe(HPO_3)F_3]$. In the super-superexchange path $J_2$ magnetic orbital interactions between eg-block levels are much stronger than those from $t_{2g}$-block levels. Both electronic structure calculations show that the spin exchange interaction through the super-superexchange path $J_2$ is much stronger than that of $J_1$.

• Journal of the Korean Magnetics Society
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• v.16 no.6
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• pp.287-292
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• 2006

Al substituted $CoAl_{0.5}Fe_{1.5}O_{4}$ has been studied with x-ray and neutron diffraction, $M\"{o}ssbauer$ spectroscopy and magnetization measurements. $CoAl_{0.5}Fe_{1.5}O_{4}$ revealed a cubic spinel structure of ferrinmagnetic long range ordering at room temperature, with magnetic moments of $Fe^{3+}(A)(-2.29{\mu}_{B}),\;Fe^{3+}(B)(3.81\;{\mu}_{B}),\;Co^{2+}(B)(2.66{\mu}_{B})$, respectively. The temperature dependence of the magnetic hyperfine field in $^{57}Fe$ nuclei at the tetrahedral (A) and octahedral (B) sites was analyzed based on the $N\'{e}el$ theory of magnetism. In the sample of $CoAl_{0.5}Fe_{1.5}O_{4}$, the interaction A-B interaction and intrasublattice A-A superexchange interaction were antiferromagnetic with strengths of $J_{A-B}=-19.3{\pm}0.2k_{B}\;and\;J_{A-A}=-21.6{\pm}0.2k_{B}$, respectively, while the intrasublattice B-B superexchange interaction was found to be ferromagnetic with a strength of $J_{B-B}=3.8{\pm}0.2k_{B}$.

• Proceedings of the Korean Magnestics Society Conference
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• 1999.04a
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• pp.106-107
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• 1999

• Bulletin of the Korean Chemical Society
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• v.31 no.6
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• pp.1665-1668
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• 2010

The spin exchange interactions of $(VO)_2(H_2O){O_3P-(CH_2)_3-PO_3}{\cdot}2H_2O$ were examined by spin dimer analysis based on extended Huckel tight binding method. The strongest spin exchange interaction occurs through the super-superexchange path $J_2$ and the second strongest spin exchange interaction occurs through the superexchange interaction path $J_1$. There are two strongly interacting spin exchange paths in $(VO)_2(H_2O){O_3P-(CH_2)_3-PO_3}{\cdot}2H_2O$. Therefore, magnetic susceptibility curve of $(VO)_2(H_2O){O_3P-(CH_2)_3-PO_3}{\cdot}2H_2O$ can be well reproduced by an alternating onedimensional antiferromagnetic chain model rather than an isolated spin dimer model.

• Bulletin of the Korean Chemical Society
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• v.26 no.12
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• pp.1965-1968
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• 2005

Extended H$\ddot{u}$ckel molecular calculations have been used to analyze how the magnitude of exchange coupling is influenced by the structural distortions in a series of dinuclear six-coordinate copper(II) complexes bridged by the planar bis-bidentate oxalate anion. Copper(II) ions have distorted octahedral surroundings, one being axially elongated and the other compressed. The magnetic interaction is strong in the former complexes and very weak in the latter. This is interpreted as resulting from a switching of magnetic spin orbitals due to the structural distortions (bond elongation or compression) of the copper sites.

• Bulletin of the Korean Chemical Society
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• v.31 no.6
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• pp.1704-1710
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• 2010

The structure of a 2D grid-like copper(II) complex [Cu$(NCO)_2$(pyz)](pyz=pyrazine) (1) consists of 1D chains of Cu-pyz units connected by double end-on (EO) cyanato bridges. Each Cu(II) ion has a distorted octahedral coordination, completed by the four EO cyanato and two pyrazine ligands. Magnetic interactions through EO cyanato and pyrazine bridges in 1 are discussed on the basis of DFT broken-symmetry calculations at the B3LYP level. For model dicopper(II) complexes I (bridged by cyanato) and II (bridged by pyrazine), electronic structure calculations reproduce very well the experimental couplings for the S = 1/2 ferromagnetic and antiferromagnetic exchange-coupled 2D system: the calculated exchange parameters J are +1.25 $cm^{-1}$ and -3.07 $cm^{-1}$ for I and II, respectively. The $\sigma$ orbital interactions between the Cu $x^2-y^2$ magnetic orbitals and the nitrogen lone-pair orbitals of pyrazine are analyzed from the viewpoint of through-bond interaction. The energy splitting of 0.106 eV between two SOMOs indicates that the superexchange interaction should be antiferromagnetic in II. On the other hand, there are no bridging orbitals that efficiently connect the two copper(II) magnetic orbitals in I because the HOMOs of the basal-apical NCO bridge do not play a role in the formation of overlap interaction pathway. The energy separation in the pair of SOMOs of I is calculated to be very small (0.054 eV). This result is consistent with the occurrence of weakly ferromagnetic properties in I.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.34 no.5
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• pp.386-392
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• 2021

Multiferroics exhibiting the coexistence and a possible coupling of ferromagnetic and ferroelectric order are attracting widespread interest in terms of academic interests and possible applications. However, room-temperature single-phase multiferroics with soft ferromagnetic and displacive ferroelectric properties are still rare owing to the contradiction in the origin of ferromagnetism and ferroelectricity. In this study, we demonstrated that sizable ferromagnetic properties are induced in the ferroelectric bismuth ferrite-barium titanate system simply by introducing Co ions into the A-site. It is noted that all modified compositions exhibit well-saturated magnetic hysteresis loops at room temperature. Especially, 70Bi_0.95Co_0.05FeO₃-30Ba_0.95Co_0.05TiO₃ manifests noticeable ferroelectric and ferromagnetic properties; the spontaneous polarization and the saturation magnetization are 42 µC/cm² and 3.6 emu/g, respectively. We expect that our methodology will be widely used in the development of perovskite-structured multiferroic oxides.