• Progress in Superconductivity
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• v.11 no.2
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• pp.135-140
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• 2010

We propose a variational wave function for the ground state of the magnetic heavy fermion (HF) systems, in which both the Kondo and the RKKY interactions are variationally incorporated and the local f-orbital state exists as a linear combination of a full local moment state and a fully compensated state (mixed wave state). We describe the mechanism for the mixed wave ground state based on the large-N treatment of the Kondo lattice Hamiltonian added with RKKY interaction. With the mixed wave ground state we can explain several puzzling experiments in magnetic HF compounds such as a small value of local moment, coexistence of the antiferromagnetic (AFM) and the paramagnetic (PM) phases, local quantum criticality, etc.

• Journal of the Korean Physical Society
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• v.73 no.12
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• pp.1884-1888
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• 2018

We have employed electron paramagnetic resonance spectroscopy and magnetization measurements in order to study the effect of Al-incorporation on the magnetic interactions in ZnO:Mn diluted magnetic semiconductors. Al-doping is shown to decrease the antiferromagnetic correlation and to increase the ferromagnetic interaction, which is attributed to the hydrogen-mediated ferromagnetic Mn complexes in our Mn-doped ZnO samples.

• Journal of the Korean Magnetics Society
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• v.18 no.4
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• pp.159-162
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• 2008

The phenomenon of magnetostriction occurs in magnetic systems when the temperature is changed or the external magnetic field is applied. It is known that the magnetostriction observed in rare-earth elements and compounds is well described by the crystal-field striction and the exchange striction. In this review paper, we discuss the standard theory for the magnetostriction which includes the crystal-field and the exchange interaction.

• Bulletin of the Korean Chemical Society
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• v.25 no.5
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• pp.676-680
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• 2004

Complexes M($C_7H_2NO_5)3H_2O{\cdot}H_2O{\cdot}0.25MeCN$ (M=Ni, Co) were crystallized from the reactions of $Ni(CH_3COO)_2{\cdot}4H_2O\;or\;Co(CH_3COO)_2{\cdot}2H_2O$ with KSCN and 2,6-dicarboxy-4-hydroxypyridine (chelidamic acid). The structures were characterized by X-ray crystallography. The crystal structures of 1 and 2 show a distorted octahedral coordination geometry around the M(II) ions, which are chelated by one nitrogen atom and two oxygen atoms of the chelidamic acid and three water molecules. Complexes 1 and 2 display the hydrogen-bonded 3D framework. The magnetic behavior of 2 exhibits antiferromagnetic interaction.

• Journal of Magnetics
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• v.20 no.3
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• pp.201-206
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• 2015

Using the Vienna ab initio simulation package (VASP) incorporating both semiempirical and nonlocal van der Waals interaction, the structural, adsorption, and magnetic properties of Ni/BN/Co systems were investigated. We proposed that the relative spin direction of Ni and Co magnets can be easily tuned, because the total energy difference between ferromagnetic (FM) and antiferromagnetic (AFM) states is small. Despite this feature, very interestingly, both Ni and Co layers manifest half-metallic state, whereas the spacer BN layer becomes weak metal for one monolayer (ML) thickness and an insulating barrier for two ML thicknesses. The half-metallic behavior of the magnetic layers seems very robust, because it is independent of the magnetic coupling between Ni and Co. This finding indicates that the Ni/BN/Co system can be used as a potential candidate for tunneling magnetoresistance system.

• Journal of Magnetics
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• v.12 no.2
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• pp.64-67
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• 2007

Electronic structures of ordered double perovskites $Ba_2MReO_6$ (M=Mn, Fe, Co, and Ni) are investigated by using the linearized muffin-tin orbitals band method in the local spin-density approximation (LSDA) and the LSDA+U method. The half-metallic ferrimagnetic ground states are obtained for M=Fe and Ni in the LSDA+U, whereas the insulating ground state is obtained for M=Mn in the LSDA+U incorporating the spinorbit interaction. For M= Co, the antiferromagnetic ground state is stabilized in the LSDA+U by invoking the structural distortion.

• 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.

• Journal of the Korean Magnetics Society
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• v.26 no.4
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• pp.119-123
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• 2016

We have studied electronic and magnetic structure of cubane-type Cu magnetic molecule using density functional method. The calculated density of states show that Cu has 3d $x^2-y^2$ hole orbital because of short distances between Cu atom and in-plane 4 ligand atoms. The calculated total energy with in-plane antiferromagnetic spin configuration is lower than those of ferromagnetic configurations. The calculated exchange interaction J between in-plane Cu atoms is much larger than those between out-plane Cu atoms, since the $x^2-y^2$ hole orbital ordering of Cu 3d orbitals induces strong super-exchange interaction between in-plane Cu atoms.

• Journal of the Korean Magnetics Society
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• v.24 no.4
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• pp.97-100
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• 2014

We have studied electronic and magnetic structure of Mn-dimer molecule using OpenMX method based on density functional method. The calculated density of states shows that the four O atoms split $e_g$ and $t_{2g}$ energy levels. The energy splitting by the crystal field is smaller than bulk MnO with cubic structure, because of small coordination number of atoms. Total energy with antiferromagnetic spin configuration is lower than that of ferromagnetic configurations. Calculated exchange interaction J between Mn atoms is one order larger than that of the other Mn-O magnetic molecules. That comes from the direct exchange interaction between Mn 3d orbitals and the super-exchange interactions caused by strong ${\sigma}$-bonding of Mn-O orbitals.

• Journal of the Korean Magnetics Society
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• v.22 no.4
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• pp.121-124
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• 2012

We have studied electronic and magnetic structure of cubane-type Mn4 cluster using OpenMX method based on density functional method. The calculated density of states shows that the octahedron of O atoms split $e_g$ and $t_{2g}$ energy levels like bulk MnO with cubic structure. Total energy with antiferromagnetic spin configuration is lower than those of other spin configurations because of super exchange interaction. Calculated exchange interaction J between Mn atoms with anti-parallel spin is larger than between Mn atoms with parallel spin.