Abstract We extensively explore the high-pressure structures of InBi by using a newly developed particle swarm optimization algorithm. An orthorhombic Imma structure is discovered to be stable from 43.7 GPa to 107.9 GPa, ruling out the previously speculated cubic structure. Further increasing the pressure, we find a tetragonal P4/nmm structure which is energetically more favourable from 107.9 GPa to 200 GPa. Especially, the tetragonal P4/nmm structure is known to occur at high pressure in the structures of ZnO and MgTe. We also predict this structure to be a high-pressure structure of ZnTe. Thus the tetragonal P4/nmm structure may be a universal high-pressure structure of the Ⅱ-Ⅵ and the Ⅲ-Ⅴ compounds.
Received: 23 August 2011
Revised: 12 September 2011
Accepted manuscript online:
PACS:
61.50.Ks
(Crystallographic aspects of phase transformations; pressure effects)
Fund: Project supported by the National Natural Science Foundation of China (Grant Nos. 11064015, 10676011, and 10664005), the National Basic Research Program of China (Grant No. 2005CB724400), the Program for 2005 New Century Excellent Talents in University (Grant No. 2005CB724400), and the 2007 Cheung Kong Scholars Programme of China (Grant No.IRT0625).
Corresponding Authors:
Liu Yan-Hui,yhliu@ybu.edu.cn
E-mail: yhliu@ybu.edu.cn
Cite this article:
Liu Huan-Huan(刘欢欢) and Liu Yan-Hui(刘艳辉) High-pressure structures of InBi predicted by particle swarm optimization algorithm 2012 Chin. Phys. B 21 026102
Altmetric calculates a score based on the online attention an article receives. Each coloured thread in the circle represents a different type of online attention. The number in the centre is the Altmetric score. Social media and mainstream news media are the main sources that calculate the score. Reference managers such as Mendeley are also tracked but do not contribute to the score. Older articles often score higher because they have had more time to get noticed. To account for this, Altmetric has included the context data for other articles of a similar age.
