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1.
IUCrJ ; 5(Pt 2): 158-165, 2018 Mar 01.
Article in English | MEDLINE | ID: mdl-29765605

ABSTRACT

The crystal structure of the excitonic insulator Ta2NiSe5 has been investigated under a range of pressures, as determined by the complementary analysis of both single-crystal and powder synchrotron X-ray diffraction measurements. The monoclinic ambient-pressure excitonic insulator phase II transforms upon warming or under a modest pressure to give the semiconducting C-centred orthorhombic phase I. At higher pressures (i.e. >3 GPa), transformation to the primitive orthorhombic semimetal phase III occurs. This transformation from phase I to phase III is a pressure-induced first-order phase transition, which takes place through coherent sliding between weakly coupled layers. This structural phase transition is significantly influenced by Coulombic interactions in the geometric arrangement between interlayer Se ions. Furthermore, upon cooling, phase III transforms into the monoclinic phase IV, which is analogous to the excitonic insulator phase II. Finally, the excitonic interactions appear to be retained despite the observed layer sliding transition.

2.
Inorg Chem ; 56(5): 3030-3035, 2017 Mar 06.
Article in English | MEDLINE | ID: mdl-28191970

ABSTRACT

Two novel 112-type palladium-doped iron arsenides were synthesized and identified using comprehensive studies involving synchrotron X-ray diffraction and X-ray absorption near-edge structure (XANES) experiments. Whereas in-plane arsenic zigzag chains were found in the 112-type superconducting iron arsenide Ca1-xLaxFeAs2 with maximum Tc = 34 K, deformed arsenic network structures appeared in other 112-type materials, such as longitudinal arsenic zigzag chains in CaFe1-yPdyAs2 (y ∼ 0.51) and arsenic square sheets constructed via hypervalent bonding in Ca1-xLaxFe1-yPdyAs2 (x ∼ 0.31, y ∼ 0.30). As K-edge XANES spectra clarified the similar oxidization states around FeAs4 tetrahedrons, alluding to possible parents for high-Tc 112-type iron arsenide superconductors.

3.
Sci Rep ; 3: 3101, 2013 Oct 31.
Article in English | MEDLINE | ID: mdl-24173038

ABSTRACT

We report the unprecedented square-planar coordination of iridium in the iron iridium arsenide Ca(10)(Ir(4)As(8))(Fe(2)As(2))5. This material experiences superconductivity at 16 K. X-ray photoemission spectroscopy and first-principles band calculation suggest Ir(II) oxidation state, which yields electrically conductive Ir(4)As(8) layers. Such metallic spacer layers are thought to enhance the interlayer coupling of Fe(2)As(2), in which superconductivity emerges, thus offering a way to control the superconducting transition temperature.

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