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arXiv · 1309.3548

Dimerization-Induced Cross-Layer Quasi-Two-Dimensionality in Metallic Iridate IrTe2

G. L. Pascut·K. Haule·M. J. Gutmann·S. A. Barnett·A. Bombardi·S. Artyukhin·D. Vanderbilt·J. J. Yang·S. -W. Cheong·V. Kiryukhin
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Abstract

The crystal structure of layered metal IrTe2 is determined using single-crystal x-ray diffraction. At T=220 K, it exhibits Ir and Te dimers forming a valence-bond crystal. Electronic structure calculations reveal an intriguing quasi-two-dimensional electronic state, with planes of reduced density of states cutting diagonally through the Ir and Te layers. These planes are formed by the Ir and Te dimers, which exhibit a signature of covalent bonding character development. Evidence for significant charge disproportionation among the dimerized and non-dimerized Ir (charge order) is also presented.

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G. L. Pascut, K. Haule, M. J. Gutmann, S. A. Barnett, A. Bombardi, S. Artyukhin, D. Vanderbilt, J. J. Yang, S. -W. Cheong, V. Kiryukhin. 2013-09-13. Dimerization-Induced Cross-Layer Quasi-Two-Dimensionality in Metallic Iridate IrTe2. https://doi.org/10.1103/physrevlett.112.086402

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