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Pressure-induced normal-incommensurate and incommensurate-commensurate phase transitions in CrOCl

机译:CrOCl中压力诱导的正常-不相称和不相称-相变

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摘要

The high-pressure behavior of layered CrOCl is shown to be governed by non-bonded interactions between chlorine atoms in relation to a rigid framework composed of Cr and O atoms. The competition between optimizing intra- and interlayer Cl–Cl distances and the general trend towards denser packing defines a novel mechanism for high-pressure phase transitions of inorganic materials. CrOCl possesses an incommensurate phase for 16–51 GPa. Single-crystal x-ray diffraction in a diamond anvil cell provides an accurate description of the evolution of the incommensurate wave with pressure. It thus demonstrates a continuous increase of the amplitude up to 30 GPa, followed by a decrease of the wavelength until a lock-in transition occurs at 51 GPa.
机译:层状CrOCl的高压行为显示出受氯原子之间相对于由Cr和O原子组成的刚性骨架的非键合相互作用所控制。优化层间和层间Cl-Cl距离之间的竞争以及趋于密集堆积的总体趋势为无机材料的高压相变定义了一种新的机理。 CrOCl具有16–51 GPa的不相称相。金刚石砧室中的单晶X射线衍射可准确描述不相称波随压力的变化。因此,它表明振幅持续增加,直到30 GPa,然后波长减小,直到在51 GPa发生锁定跃迁为止。

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