Negative Pressures能把铋变成金属吗？扩展的案例
Could Negative Pressures Turn Bismuth into a Metal? The Case of the Expanded
摘要：
材料在受到意外条件的影响时，可能会以非预期的方式表现。例如，当Bi转变成非晶相（\textit{a} -Bi）时，它在低于$10$ K的温度下意外地变成超导体。我们提供了一个解释，为什么\textit{a} -Bi超导体和晶体（\textit{c} -Bi）没有被发现这样做：我们计算机计算了它们的电子性质，发现\textit{a} -Bi有一个更大的电子态密度，eDoS，在费米表面比\textit{c} -Bi，这解释了这一现象。我们甚至预测了结晶相超导$T_c$的上限，这在第二年的实验中得到了证实。我们现在决定研究当施加低于大气压的压力（膨胀）时，晶体（Wyckoff结构）和非晶Bi会发生什么。在这里，我们表明，当扩展时，\textit{c} -Bi变得更具金属性，因为当Wyckoff结构的体积增加时，eDoS增加，而非晶eDoS减少。如果保持晶体结构，则其$T_c$将在膨胀下升高，而对于\textit{a} -Bi，其将降低。膨胀可以在实验室中通过化学蚀刻Bi基合金来获得，例如，该过程也称为脱合金化。
英文摘要：
Materials may behave in non-expected ways when subject to unexpected conditions. For example, when Bi was turned into an amorphous phase (\textit{a}-Bi) unexpectedly it became a superconductor at temperatures below $10$ K. We provided an explanation as to why \textit{a}-Bi superconducts and the crystalline (\textit{c}-Bi) had not been found to do so: we computer calculated their electronic properties and found that \textit{a}-Bi has a larger electron density of states, eDoS, at the Fermi surface than \textit{c}-Bi and this explained the phenomenon. We even predicted an upper limit for the superconducting $T_c$ of the crystalline phase, which was experimentally corroborated within the following year. We now decided to investigate what happens to crystalline (Wyckoff structure) and amorphous Bi when pressures below the atmospheric are applied (expansion). Here we show that when expanded, \textit{c}-Bi becomes more metallic, since the eDoS increases when the volume increases for the Wyckoff structure, while the amorphous eDoS decreases. If the crystalline structure is maintained its $T_c$ would rise under expansion, whereas it would diminish for the \textit{a}-Bi. Expansion can be obtained in the laboratory by chemically etching Bi-based alloys, a process also known as dealloying, for example.
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