Modeling a plethora of dimerized phases in IrTe<sub>2</sub>

ORAL

Abstract

IrTe2 is a one of the transition metal dichalcogenides with the structure containing triple triangular layers Te-Ir-Te with Ir ions in the octahedral coordination. Upon cooling below 220 K a sequence of phases with rows of Ir-Ir dimers are seen. Here we combine first principles calculations and a simplified model descibing the free energy of dimerized phases to compute the phase diagram and rationalize the emergence of these phases.

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Presenters

  • Sergey Artyukhin

    • Quantum material theory, Italian Institute of technology
    • Quantum Materials Theory, Istituto Italiano di Tecnologia
    • Istituto Italiano di Tecnologia

Authors

  • Sergey Artyukhin

    • Quantum material theory, Italian Institute of technology
    • Quantum Materials Theory, Istituto Italiano di Tecnologia
    • Istituto Italiano di Tecnologia

  • Francesco Foggetti

    • Quantum material theory, Italian Institute of technology, University of Genova
    • Istituto Italiano di Tecnologia

  • Louis Ponet

    • Quantum Materials Theory, Istituto Italiano di Tecnologia
    • Istituto Italiano di Tecnologia

  • Daniel Khomskii

    • University of Cologne
    • Department of Physics, University of Cologne