• Journal of Magnetics
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• v.6 no.3
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• pp.77-79
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• 2001

The semi-empirical superposition model has been applied to calculate the zero field splitting parameters of $Mn^{2+}$ion in $LiTaO_3$ single crystal, assuming that $Mn^{2+}$ion occupies one of two possible sites: $Li^{l+} \;or\; Ta^{5+}$ site, respectively. The 2nd-order axial zero field splitting parameters are $958\times10^{-4}cm^{-1}\; at\; Li^{1+}$ site and $193\times 10^{-4}cm^{-1} \;at\; Ta^{5+}$ site for $Mn^{2+}$ions. The 4th-order zero field splitting parameters at $Li^{l+} \;and\; Ta^{5+}$ sites are also determined. These calculated zero field splitting parameters are very important to determine the substitutional sites of doped impurity ions in $LiTaO_3$ crystal.

• Journal of the Korean Chemical Society
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• v.23 no.2
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• pp.65-74
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• 1979

An effect of the spin-orbit coupling interaction of ligand orbitals on the ground state for octahedral $[Ti(Ⅲ)A_3B_3]$, $ [V(Ⅲ)A_3B_3]$, $ [Fe(Ⅲ)A_3B_3]$ and $ [Ni(Ⅱ)A_3B_3]$ type complexes has been investigated in this work, applying the degenerate perturbation theory. The wave functions are not affected but the energy level splitting for the ground state of these complexes by the spin-orbit coupling interaction of ligand orbitals. The extent of effect on the energy level splitting for the ground state is decreased in order Ti(Ⅲ) > V(Ⅲ) > Fe(Ⅲ).

• Proceedings of the Korean Magnetic Resonance Society Conference
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• 2000.01a
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• pp.20-20
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• 2000

• Journal of the Korean Magnetic Resonance Society
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• v.12 no.2
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• pp.103-110
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• 2008

Spin Hamiltonian for the paramagnetic center with a three-fold symmetry and high spin ($S{\geq}2$) multiplicity should contain the fourth order zero-field splitting (ZFS) terms. Electron magnetic resonance transition lines of the center with S = 5/2 are expected to split in a pair when the magnetic field is applied off the principal axes of ZFS, while they are superimposed when the magnetic field is applied parallel to the principal axes of ZFS. In this study we report that the transition lines of $Mn^{2+}$ centers at the three-fold symmetric sites in $LiNbO_3$, chemically equivalent but physically different, split in two due to the nonzero fourth order ZFS term.

• Journal of the Korean Magnetics Society
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• v.13 no.4
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• pp.171-175
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• 2003

Electron paramagnetic resonance (EPR) of Fe$^{3+}$ in LiTaO$_3$ single crystal, grown by Czochralski method, has been studied by employing an X-band spectrometer. Resonance spectra of Fe$^{3+}$ ion on the crystallographic principal axes were obtained with 9.447 ㎓ at room temperature. The spectroscopic splitting parameter g and zero-field splitting (ZFS) parameter D (= 3 B$_{2}$sup 0/) are calculated with effective spin Hamiltonian. Fe$^{3+}$ center in stoichometric single crystal turns out to be different with that in congruent single crystal reported previously. From the analysis of temperature dependence of resonance fields for Fe$^{3+}$ ion, there is no any phase transition at the temperature range (from -160 $^{\circ}C$ to 20 $^{\circ}C$).

• Bulletin of the Korean Chemical Society
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• v.19 no.5
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• pp.575-579
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• 1998

The 77 K luminescence and excitation spectra, and 298 K infrared and absorption spectra of $cis-{\Alpha}-[Cr(trien)Cl_2]Cl{\cdot}H_2O$ (trien=triethylenetetramine) have been measured. Ligand field electronic transitions due to spin-allowed and spin-forbidden are assigned. The zero-phonon line in the excitation spectrum splits into two components by $198\; cm^{-1}$, and the large $^2E_g$ splitting can be reproduced by the modern ligand field theory. It is confirmed that nitrogen atoms of the trien ligand have a strong σ-donor character, but chloride ligand has weak σ- and π -donor properties toward chromium(III) ion.

• Journal of the Korean Magnetics Society
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• v.26 no.2
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• pp.45-49
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• 2016

Ground state energy levels of $Gd^{3+}$ ion (effective spin S = 7/2) in $PbWO_4$ single crystal doped with $Gd^{3+}$ paramagnetic impurity at tetragonal symmetry are calculated with spectroscopic splitting parameters and zero field splitting parameters using by effective spin Hamiltonian. It turns out that the zero field splitting energies of $Gd^{3+}$ ion were the same regardless of the directions of $PbWO_4$ : Gd single crystal. The calculated energy differences for ${\mid{\pm}7/2}$ > ${\leftrightarrow}{\mid{\pm}5/2}$ >, ${\mid{\pm}5/2}$ > ${\leftrightarrow}{\mid{\pm}3/2}$ >, and ${\mid{\pm}3/2}$ > ${\leftrightarrow}{\mid{\pm}1/2}$ > transitions were 6.9574 GHz, 6.9219 GHz, and 15.8704 GHz, respectively when the applied magnetic field is zero. The calculated energy level diagrams were different for different directions of applied magnetic field. For B // a- and c-axis, the energy level diagrams are calculated and discussed.

• Korean Journal of Materials Research
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• v.2 no.4
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• pp.293-297
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• 1992

The magnetic properties of the amorphous Fe/sub 32/Ni/sub 36/Cr/sub 14/P/sub 12/B/sub 6/ has been studied by Mossbauer spectroscopy in the temperature range of 88-400K. The analysis of the spectrum of B8K, the magnetic hyperfine field and quadrupole splitting are found to be 140.5kOe and almost zero, which means that the magnetic hyperfine field is randomly oriented with respect to the principal axes of the electric field gradient, respectively. The values of quadrupole splitting in paramagnetic phase with Tc=280K are independent on the changes of temperature. Debye temperature is found to be about 288k from the analysis of recoilless fraction.

• Journal of Photoscience
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• v.7 no.3
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• pp.97-101
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• 2000

The 77 K emission and excitation spectra, and 298 K infrared and absorption spectra of mer-[CrCl(en)(dpt)]ZnCl$_4$(en=1,2-diaminoethane; dpt=1,5,9-triazanonane) have been measured. Ligand field electronic transitions due to spin-allowed and spin-forbidden are assigned. The zero-phonon line in the excitation spectrum splits into two components by 151$cm^{-1}$ /, and large$^2$E$^{g}$ splitting can be reproduced by the modern ligand field theory. It is confirmed that nitrogen atoms of the en and dpt ligands have a strong $\delta$-donor character, but chloride ligand has weak $\delta$-and $\pi$-donor properties toward chromium(III) ion.

• Bulletin of the Korean Chemical Society
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• v.20 no.1
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• pp.81-84
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• 1999

The emission and excitation spectra of [Cr(NH3)5(imH)](ClO4)3·H2O (imH=imidazole) taken at 77 K are reported. The 298 K visible and far-infrared spectra are also measured. The vibrational intervals of the electronic ground state are extracted from the far-infrared and emission spectra. The ten electronic bands due to spin-allowed and spin-forbidden transitions are assigned. Using the observed transitions, a ligand field analysis has been performed to determine the bonding properties of coordinated imidazole in the title chromium(Ⅲ) complex. It is confirmed that nitrogen atom of the imidazole ligand has a medium it-acceptor property toward chromium(Ⅲ) ion. The zero-phonon line in the excitation spectrum splits into two components by 181 cm-1, and the large 2Eg splitting can be reproduced by the ligand field theory.