• Bulletin of the Korean Chemical Society
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• v.14 no.4
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• pp.465-468
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• 1993

Four compounds containing two 2,2,6,6-tetramethylpiperidin-1-yloxyl radicals were synthesized. They are all chemically bonded with squaric moieties. The diradical compounds show fundamentally the paramagnetic behaviors satisfying the theoretical magnetic susceptibility according to Curie's law. A diradical compound of salf-form 4 however shows a relatively strong antiferromagnetic interaction in comparison with other reported organic radicals. The antiferromagnetic interaction of diradical 4 approximates a value of J/k= -50 K by the theoretical analysis of its temperature dependence.

• Bulletin of the Korean Chemical Society
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• v.33 no.7
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• pp.2338-2340
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• 2012

The spin exchange parameters of $VOSb_2O_4$ were evaluated by performing energy-mapping analysis based on density functional calculations. The spin exchange interaction between the nearest-neighbor $V^{4+}$ ions is strongly antiferromagnetic while other interactions are negligible. Thus, the magnetic structure of $VOSb_2O_4$ is best described by a spin-1/2 Heisenberg antiferromagnetic chain with no spin frustration.

• Journal of the Korean Magnetics Society
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• v.19 no.5
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• pp.157-160
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• 2009

We have studied electronic structures and magnetic properties of one dimensional Ge chain nanoclusters using OpenMX method based on densty functional method. The calculation results show the strong antiferromagnetic interaction between Cr and Ge atoms. The magnetic interaction between Ge and Ge atoms are almost antiferromagnetic behaviors. The magnetic exchange interaction are occurred over the sevaral Ge atom layers. The magnitude of this interaction depends number of Ge atom.

• Bulletin of the Korean Chemical Society
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• v.23 no.9
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• pp.1321-1324
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• 2002

• Journal of the Korean Magnetics Society
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• v.27 no.4
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• pp.140-144
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• 2017

We have studied electronic and magnetic structure of cubane-type Co magnetic molecule using density functional method. The calculated density of states show $Co^{+2}$ ionic state and high-spin state because of large exchange interaction between inside Co 3d electrons. The exchange interaction J between Co atoms depends Co-O-Co angle. The calculated J is ferromagnetic with right angles. On the other hand J is antiferromagnetic with large angles since super-exchange interactions between $Co^{+2}$ atoms. It induces that Co cubane has a antiferromagnetic spin structure of AFM1 = [${\uparrow}{\uparrow}{\downarrow}{\downarrow}$]

• Bulletin of the Korean Chemical Society
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• v.30 no.5
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• pp.1113-1117
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• 2009

The one-dimensional coordination polymers, $[Cu^{II}(L)(NO_3)_2]_n$ (1) and {$[Cu^{II}(L)(NO_3)]{\cdot}2H_2O}_{2n} (2), were synthesized from $Cu(NO_3)_2{\cdot}3H_2O$ and 2-[(pyridin-3-ylmethyl)amino]ethanol (L, PMAE) in methanol by controlling the molar ratio of copper(II) salt. Copper(II) ion in 1 has one pyridine group of PMAE whose an aminoethanol group coordinates adjacent copper(II) ion. As the pyridine group is bonded to neighboring copper(II) ion, 1 becomes a one-dimensional chain. Contrary to 1, the structure of 2 shows that the oxygen atom of ethoxide group is bridged between two copper(II) ions, which forms a dinuclear complex. Additionally, the pyridine group of PMAE included one dinuclear unit is coordinated to the other dimeric one each other, which leads to a one-dimensional polymer. Due to the structural differences, 1 exhibits weak antiferromagnetic interaction, while 2 shows strong antiferromagnetic interaction. Due to direct spin exchange via oxygen of PMAE 2 has a much strong spin coupling than 1.

• Progress in Superconductivity
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• v.9 no.2
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• pp.127-135
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• 2008

We study the effects of phonon interaction on the superconducting pairing in the high $T_c$ superconductors (HTSC). Using coupled BCS gap equations, we found that phonon interaction can induce a s-wave component to the d-wave gap, mediated by Antiferromagnetic (AFM) spin fluctuations, in the (D+iS) form. However, $T_c$ is not enhanced compared to the pure d-wave pairing without phonon interaction. On the other hand, anisotropic phonon interaction can dramatically enhance the d-wave pairing and $T_c$ itself, together with the AFM spin fluctuation interaction. This ($D_{AFM}+D_{ph}$) type pairing exhibits strongly reduced isotope coefficient despite the large enhancement of $T_c$ by phonon interaction.

• Bulletin of the Korean Chemical Society
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• v.32 no.3
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• pp.1037-1040
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• 2011

The dinuclear complex 1 with cooperative hydrogen bonds can be prepared by the metal-directed reaction of Eq. (2). This work shows that the coordinated hydroxyl group trans to the secondary amino group is deprotonated more readily than that trans to the tertiary amino group and acts as the hydrogen-bond accepter. The lattice water molecules in 1 act as bridges between the two mononuclear units through hydrogen bonds. The complex is quite stable as the dimeric form even in various polar solvents. The complex exhibits a weak antiferromagnetic interaction between the metal ions in spite of relatively long Cu$\cdots$Cu distance. This strongly supports the suggestion that the antiferromagnetic behavior is closely related to the cooperative hydrogen bonds.

• 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 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 ${\alpha}-Fe_2O_3$, $MnCO_3$, $CrF_3$.