Peierls mechanism of the metal-insulator transition in ferromagnetic hollandite K2Cr8O16 |
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Authors: | Toriyama T Nakao A Yamaki Y Nakao H Murakami Y Hasegawa K Isobe M Ueda Y Ushakov A V Khomskii D I Streltsov S V Konishi T Ohta Y |
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Affiliation: | Department of Physics, Chiba University, Chiba 263-8522, Japan. |
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Abstract: | Synchrotron x-ray diffraction experiment shows that the metal-insulator transition occurring in a ferromagnetic state of a hollandite K(2)Cr(8)O(16) is accompanied by a structural distortion from the tetragonal I4/m to monoclinic P112(1)/a phase with a √2×√2×1 supercell. Detailed electronic structure calculations demonstrate that the metal-insulator transition is caused by a Peierls instability in the quasi-one-dimensional column structure made of four coupled Cr-O chains running in the c direction, leading to the formation of tetramers of Cr ions below the transition temperature. This provides a rare example of the Peierls transition of fully spin-polarized electron systems. |
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