2013
DOI: 10.1103/physrevb.87.054104
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Pressure-induced symmetry breaking in tetragonal CsAuI3

Abstract: Results of in situ high pressure x-ray powder diffraction on the mixed valence compound Cs 2 Au I Au III I 6 (CsAuI 3 ) are reported, for pressures up to 21 GPa in a diamond anvil cell under hydrostatic conditions. We find a reversible pressure-induced tetragonal to orthorhombic structural transition at 5.5-6 GPa, and reversible amorphization at 12-14 GPa. Two alternative structures are proposed for the high-pressure orthorhombic phase, and are discussed in the context of a possible Au valence transition.2

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Cited by 17 publications
(13 citation statements)
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“…We find this high pressure semiconducting state to be remarkably robust, with almost no further change up to a pressure of p = 38 GPa. Both the occurrence of the electronic anomalies and the reopening of a gap are in good agreement with earlier pressure resistivity, infrared, and Raman spectroscopy measurements on CsAuI 3 [13,18]. CsAuBr 3 is not found to become superconducting for any of the pressures, despite the very low resistivities and high conductivities observed.…”
Section: Resultssupporting
confidence: 88%
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“…We find this high pressure semiconducting state to be remarkably robust, with almost no further change up to a pressure of p = 38 GPa. Both the occurrence of the electronic anomalies and the reopening of a gap are in good agreement with earlier pressure resistivity, infrared, and Raman spectroscopy measurements on CsAuI 3 [13,18]. CsAuBr 3 is not found to become superconducting for any of the pressures, despite the very low resistivities and high conductivities observed.…”
Section: Resultssupporting
confidence: 88%
“…The three-dimensional metal-halogen frameworks in CsAuX 3 are formed by elongated octahedra with Au(III) as the central atom and compressed octahedra around Au(I); therefore, the chemical formula of these compounds is sometimes written as Cs 2 Au 2 X 6 , emphasizing the different nature of the two gold centers. The members of the CsAuX 3 mixed-valence perovskites undergo pressure-induced structural phase transitions at p ≈ 11, 9, and 5 GPa, respectively [11,18,19]. These transitions are associated with a transition from the mixed valency Au(I)/Au(III) to a single valent material with Au(II) at the center of the octahedra [13,20].…”
Section: Introductionmentioning
confidence: 99%
“…A few charge-ordered materials have also been explored in halide perovskites, such as Au + /Au 3+ , and Tl + /Tl 3+ -based compounds. CsAuX 3 (X = Cl, Br, I) was demonstrated to show both structural and semiconductor-metal transition at high pressures (21)(22)(23)(24). Tl-based compounds (CsTlF 3…”
Section: Introductionmentioning
confidence: 99%
“…These double perovskites include materials such as CsTlX 3 and CsAuX 3 (even though the latter has strongly distorted octahedra). 23 , 24 Finally, a small group of fluoride ordered perovskites crystallize in the A 3 BX 6 cryolite (Na 3 AlF 6 ) phase, where half of the B sites are occupied by the same cations that occupy the A sites (that is, the formula is the same as that of an ordered perovskite when it is written as A 2 ABX 6 ). 5 While the ordering of cations in HPs occurs only with B site cations, oxide perovskites can also form quadruple perovskites when both the A and B sites are occupied by two differently charged cations: these materials are generally described as having an AA′BB′O 6 formula, like KSrXeNaO 6 , but the CaCu 3 Fe 2 Re 2 O 12 compound also falls under this scheme.…”
mentioning
confidence: 99%