A novel phase of beryllium fluoride at high pressure

IMR OpenIR

	A novel phase of beryllium fluoride at high pressure
	Rakitin, Maksim S.; Oganov, Artem R.; Niu, Haiyang; Esfahani, M. Mandi Davari; Zhou, Xiang-Feng; Qian, Guang-Rui; Solozhenko, Vladimir L.; maksim.rakitin@stonybrook.edu; artem.oganov@stonybrook.edu
	2015
发表期刊	PHYSICAL CHEMISTRY CHEMICAL PHYSICS
ISSN	1463-9076
卷号	17 期号:39 页码:26283-26288
摘要	A previously unknown thermodynamically stable high-pressure phase of BeF2 has been predicted using the evolutionary algorithm USPEX. This phase occurs in the pressure range 18-27 GPa. Its structure has C2/c space group symmetry and contains 18 atoms in the primitive unit cell. Given the analogy between BeF2 and SiO2, silica phases have been investigated as well, but the new phase has not been observed to be thermodynamically stable for this system. However, it is found to be metastable and to have comparable energy to the known metastable phases of SiO2, suggesting a possibility of its synthesis.
部门归属	[rakitin, maksim s. ; oganov, artem r. ; esfahani, m. mandi davari ; zhou, xiang-feng ; qian, guang-rui] suny stony brook, dept geosci, stony brook, ny 11794 usa ; [oganov, artem r.] skolkovo innovat ctr, skolkovo inst sci & technol, moscow 143026, russia ; [oganov, artem r. ; niu, haiyang] moscow inst phys & technol, dolgoprudny city 141700, moscow region, russia ; [oganov, artem r.] northwestern polytech univ, sch mat sci, xian 710072, peoples r china ; [niu, haiyang] chinese acad sci, shenyang natl lab mat sci, inst met res, shenyang 110016, peoples r china ; [solozhenko, vladimir l.] univ paris 13, lspm cnrs, f-93430 villetaneuse, france
资助者	DARPA [W31P4Q1210008]; Government of Russian Federation [14.A12.31.0003]; Foreign Talents Introduction and Academic Exchange Program [B08040]
收录类别	sci
语种	英语
WOS记录号	WOS:000362291300068
引用统计	被引频次：9[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/74597
专题	中国科学院金属研究所
通讯作者	maksim.rakitin@stonybrook.edu; artem.oganov@stonybrook.edu
推荐引用方式 GB/T 7714	Rakitin, Maksim S.,Oganov, Artem R.,Niu, Haiyang,et al. A novel phase of beryllium fluoride at high pressure[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2015,17(39):26283-26288.
APA	Rakitin, Maksim S..,Oganov, Artem R..,Niu, Haiyang.,Esfahani, M. Mandi Davari.,Zhou, Xiang-Feng.,...&artem.oganov@stonybrook.edu.(2015).A novel phase of beryllium fluoride at high pressure.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,17(39),26283-26288.
MLA	Rakitin, Maksim S.,et al."A novel phase of beryllium fluoride at high pressure".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17.39(2015):26283-26288.