The non-centrosymmetric layered compounds IrTe2I and RhTe2I

Abstract

The previously unreported layered compounds IrTe2I and RhTe2I were prepared by a high-pressure synthesis method. Single crystal X-ray and powder X-ray diffraction studies find that the compounds are isostructural, crystallizing in a layered orthorhombic structure in the non-centrosymmetric, non-symmorphic space group Pca21 (#29). Characterization reveals diamagnetic, high resistivity, semiconducting behavior for both compounds, consistent with the +3 chemical valence and d6 electronic configurations for both iridium and rhodium and the Te–Te dimers seen in the structural study. Electronic band structures are calculated for both compounds, showing good agreement with the experimental results.