Phase transition of solid bismuth under high pressure

doi:10.1088/1674-1056/25/10/108103

Abstract 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.

Keywords: Bi phase transition pressure XAFS

Received: 22 March 2016
Revised: 05 June 2016
Accepted manuscript online:

PACS:	81.30.Bx	(Phase diagrams of metals, alloys, and oxides)
	61.50.Ks	(Crystallographic aspects of phase transformations; pressure effects)
	61.05.cj	(X-ray absorption spectroscopy: EXAFS, NEXAFS, XANES, etc.)

Fund: Project supported by the National Natural Science Foundation of China (Grant Nos. 10904133, 11304294, 11274281, 11404006, and U1230201), the Development Foundation of China Academy of Engineering Physics (Grant Nos. 2015B0101004, 2013B0401062, and 2012A0101001), the Research Foundation of the Laboratory of Shock Wave and Detonation, China (Grant No. 9140C670201140C67282).

Corresponding Authors: Shi-Kai Xiang
E-mail: skxiang@caep.cn

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Hai-Yan Chen(陈海燕), Shi-Kai Xiang(向士凯), Xiao-Zhen Yan(颜小珍), Li-Rong Zheng(郑黎荣), Yi Zhang(张毅), Sheng-Gang Liu(刘盛刚), Yan Bi(毕延) Phase transition of solid bismuth under high pressure 2016 Chin. Phys. B 25 108103

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Phase transition of solid bismuth under high pressure

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