Phase transition of solid bismuth under high pressure
Phase transition of solid bismuth under high pressure
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高压下固体铋的相变
DOI：
10.1088/1674-1056/25/10/108103
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发表时间：
2016-10-01
影响因子：
1.7
通讯作者：
Bi, Yan
中科院分区：
文献类型：
--
作者：
Chen, Hai-Yan;Xiang, Shi-Kai;Bi, Yan
作为一种广泛使用的压力校准器，铋在300 K时随压力升高从I相到II相，再到III相，再到V相的结构相变已被广泛证实。然而，对于第III相存在不同的结构版本，其中大部分是通过X射线衍射（XRD）技术确定的。使用X射线吸收精细结构（XAFS）测量结合从头计算，我们表明，建议的无公度复合结构的铋的三种配置是最好的选择。还观察到第三相的最近邻距离随着压力的升高而异常地连续增加。半金属到金属的电子结构转变是导致结构转变行为复杂的原因。
As a widely used pressure calibrator, the structural phase transitions of bismuth from phase I, to phase II, to phase III, and then to phase V with increasing pressure at 300 K have been widely confirmed. However, there are different structural versions for phase III, most of which are determined by x-ray diffraction (XRD) technology. Using x-ray absorption fine structure (XAFS) measurements combined with ab initio calculations, we show that the proposed incommensurate composite structure of bismuth of the three configurations is the best option. An abnormal continuous increase of the nearest-neighbor distance of phase III with elevated pressure is also observed. The electronic structure transformation from semimetal to metal is responsible for the complex behavior of structure transformation.