Negative linear compressibility in a crystal of alpha-BiB3O6

	Negative linear compressibility in a crystal of alpha-BiB3O6
	Kang, L; Jiang, XX; Luo, SY; Gong, PF; Li, W; Wu, X; Li, YC; Li, XD; Chen, CT; Lin, ZS
刊名	SCIENTIFIC REPORTS
	2015
卷号	5 页码:13432
英文摘要	Negative linear compressibility (NLC), a rare and important mechanical effect with many application potentials, in a crystal of alpha-BiB3O6 (BIBO) is comprehensively investigated using first-principles calculations and high-pressure synchrotron X-ray diffraction experiments. The results indicate that the BIBO crystal exhibits the second largest NLC among all known inorganic materials over a broad pressure range. This unusual NLC behaviour is due to the rotation and displacement of the rigid [BO3] and [BO4] building units that result in hinge motion in an umbrella-like topology. More importantly, the parallel-polar lone-pair electrons on the Bi3+ cations act as "umbrella stands" to withstand the B-O hinges, thus significantly enhancing the NLC effect. BIBO presents a unique example of a "collapsible umbrella" mechanism for achieving NLC, which could be applied to other framework materials with lone-pair electrons.
学科主题	Science & Technology - Other Topics
类目[WOS]	Multidisciplinary Sciences
收录类别	SCI
WOS记录号	WOS:000360037600003
公开日期	2016-05-03
内容类型	期刊论文
源URL	[http://ir.ihep.ac.cn/handle/311005/228652]
专题	中国科学院高能物理研究所
推荐引用方式 GB/T 7714	Kang, L,Jiang, XX,Luo, SY,et al. Negative linear compressibility in a crystal of alpha-BiB3O6[J]. SCIENTIFIC REPORTS,2015,5:13432.
APA	Kang, L.,Jiang, XX.,Luo, SY.,Gong, PF.,Li, W.,...&李晓东.(2015).Negative linear compressibility in a crystal of alpha-BiB3O6.SCIENTIFIC REPORTS,5,13432.
MLA	Kang, L,et al."Negative linear compressibility in a crystal of alpha-BiB3O6".SCIENTIFIC REPORTS 5(2015):13432.