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Transformations of Phosphorus under Pressure from Simple Cubic to Simple Hexagonal Structures via Incommensurately Modulations: Electronic Origin

机译:磷在压力下通过不适当的调制从简单的立方转变为简单的六角结构:电子起源

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The lighter group-V element phosphorus forms the As-type (hR2) structure under pressure, above 5 GPa, and at 10 GPa transforms to the simple cubic structure (cP1), similar to arsenic. Despite its low packing density, the simple cubic structure is stable in phosphorus over a very wide pressure range up to 103 GPa. On further pressure increase, the simple cubic structure transforms into a simple hexagonal structure (hP1) via a complex phase that was solved recently as incommensurately modulated. Structural transformations of phosphorus are connected with the changes of physical properties. Above 5 GPa phosphorus shows superconductivity with Tc reaching ~9.5 K at 32 GPa. The crystal structures and properties of high-pressure phases for phosphorus are discussed within the model of the Fermi sphere and Brillouin zone interactions.
机译:较轻的V族元素磷在高于5 GPa的压力下形成As型(hR2)结构,在10 GPa时转化为简单的立方结构(cP1),类似于砷。尽管其堆积密度低,但简单的立方结构在高达103 GPa的非常宽的压力范围内对磷稳定。随着压力的进一步增加,简单的立方结构将通过复杂的相转变为简单的六边形结构(hP1),该相最近已被无比例调制。磷的结构转变与物理性质的变化有关。高于5 GPa的磷表现出超导性,在32 GPa时Tc达到〜9.5K。在费米球和布里渊区相互作用模型中讨论了磷的高压相的晶体结构和性质。

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