Abstract

Single-crystal X-ray diffraction was employed to study the structural-electronic phase transition of IrTe2_2 at approximately 270 K. The low-temperature structure was found to be a triclinic (space group P1ˉP\bar{1}) characterized by the partial formation of Ir2_2 dimers in the triangular lattice of IrTe2_2, resulting in a structural modulation with a wave vector of q=(1/5,0,−1/5){\bf q} = (1/5, 0, -1/5). First-principles band calculations demonstrate that tilted two-dimensional Fermi surfaces emerge in the triclinic phase, suggesting that switching of the conducting planes occurs from the basal plane of the trigonal IrTe2_2 to the tilted plane normal to q{\bf q} of the triclinic IrTe2_2.

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