• Journal of the Korean Magnetics Society
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• v.16 no.5
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• pp.264-269
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• 2006

The Jahn-Teller effect caused by the electron-phonon interaction is explained with an example of an octahedral molecule. The physical meaning ot the Berry's phase is discussed. The Berry's phase which appears due to the dynamical Jahn-Teller effect is also discussed.

• Proceedings of the Korean Institute of Information and Commucation Sciences Conference
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• 2001.05a
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• pp.341-344
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• 2001

We investigate the electronic structure of perovskite PbTiO$_3$ and the microscopic origin of the ferroelectric lattice instability through first-principles pseudopotential calculations. We examine pseudo Jahn-Teller effect to discuss the lattice instability. The JT effect is caused by the hybridization of the p-orbitals of O atoms and d-orbital of Ti atom. We find the JT effect is most significant at Brillouin zone renter.

• Journal of the Korean Magnetics Society
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• v.8 no.3
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• pp.111-117
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• 1998

Recent discovery of colossal magnetoresistance (CMR) phenomena in perovskite manganese oxides has evoked great interest for its physical peculiarity and the possible industrial application. Besides manganese oxides, CMR phenomena is also observed in $Tl_2Mn_2O_7$ with pyrochlore structure and in Cr-based chalcogenide with spinel structure. In this paper, we have studied electronic structures of Cr-based chalcogenide spindles $Fe_{1-x}Cu_xCr_2S_4$ at x=0.0, 0.5, 1.0 using the linearized muffin-tin orbital (LMTO) band method within the local density approximation (LDA). The characteristic resistivity for x=0.0, 0.5 could be explained qualitatively in terms of the half-metalic electronic structure and the Jahn-Teller effect. Especially, the half-metallic nature appearing in the metallic temperature regime is well descibed by the proposed conduction model for x=0.0, 0.5, 1.0. We have suggested, based on the conduction model, that the CMR phenomena observed in these compounds are closely correlated with the obtained half-metallic electronic structure.