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Sodium-potassium system at high pressure

机译:高压钠钾系统

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Mixtures of sodium and potassium differ substantially from the pure elements, while retaining the high compressibility, which is important to the complex behavior of dense alkali metals. We present powder x-ray diffraction of mixtures of Na and K compressed in diamond anvil cells to 48 GPa at 295 K. This reveals two stoichiometric intermetallics: an Na_2K phase known at ambient pressure and low temperature, and a novel NaK phase formed of interpenetrating sodium and potassium diamond lattices. Density functional theory calculations find the new phase to be dynamically stable and, in contrast to pure alkali metals, reveal decreasing electron localization with applied pressure. Depending on the mixture composition these intermetallics are accompanied by sodium or potassium rich phases suggesting that there are no other intermetallics under the range of P-T conditions studied. Alkali-metal mixtures have seen little study at high pressure and represent an unusual class of materials with very high compressibility and multiple constituents. Such materials exhibit significant compression at experimentally accessible pressures and open a way to measure multispecies structures at high compression. These results challenge structural finding algorithms for mixtures in high-pressure conditions.
机译:钠和钾的混合物基本上不同于纯元素,同时保留高压缩性,这对于致密碱金属的复杂行为至关重要。我们将Na和K混合物的粉末X射线衍射在金刚石砧座细胞中压缩至48gPa,在295k中揭示了两个化学计量的金属间化合物:在环境压力和低温下已知的Na_2k相,以及由互穿的新的NaK相钠和钾金刚石格子。密度函数理论计算发现新阶段是动态稳定的,与纯碱金属相比,揭示了用施加压力的电子定位降低。取决于混合物组合物,这些金属间化合物伴随着富含钠或钾阶段的阶段,表明在研究的P-T条件范围内没有其他金属间化合物。碱金属混合物在高压下看起来很少研究,代表具有非常高的压缩性和多种成分的不寻常的材料。这些材料在实验可接近的压力下表现出显着的压缩,并打开一种测量高压缩的多层结构的方法。这些结果挑战了高压条件下混合物的结构发现算法。

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  • 来源
    《Physical review》 |2020年第22期|224108.1-224108.6|共6页
  • 作者单位

    SLAC National Accelerator Laboratory 2575 Sand Hill Road Menlo Park USA;

    SLAC National Accelerator Laboratory 2575 Sand Hill Road Menlo Park USA;

    Institut fuer Physik Universitaet Rostock 18051 Rostock Germany;

    Institut fuer Physik Universitaet Rostock 18051 Rostock Germany;

    SLAC National Accelerator Laboratory 2575 Sand Hill Road Menlo Park USA;

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