Prediction of novel stable compounds in the Mg-Si-O system under exoplanet pressures

IMR OpenIR

	Prediction of novel stable compounds in the Mg-Si-O system under exoplanet pressures
	Niu, Haiyang; Oganov, Artem R.; Chen, Xing-Qiu; Li, Dianzhong; artem.oganov@stonybrook.edu; xingqiu.chen@imr.ac.cn
	2015
发表期刊	SCIENTIFIC REPORTS
ISSN	2045-2322
卷号	5 页码:-
摘要	The Mg-Si-O system is the major Earth and rocky planet-forming system. Here, through quantum variable-composition evolutionary structure explorations, we have discovered several unexpected stable binary and ternary compounds in the Mg-Si-O system. Besides the well-known SiO2 phases, we have found two extraordinary silicon oxides, SiO3 and SiO, which become stable at pressures above 0.51 TPa and 1.89 TPa, respectively. In the Mg-O system, we have found one new compound, MgO3, which becomes stable at 0.89 TPa. We find that not only the (MgO)(x)center dot(SiO2)(y) compounds, but also two (MgO3)(x)center dot(SiO3)(y) compounds, MgSi3O12 and MgSiO6, have stability fields above 2.41 TPa and 2.95 TPa, respectively. The highly oxidized MgSi3O12 can form in deep mantles of mega-Earths with masses above 20 M-circle plus (M-circle plus:Earth's mass). Furthermore, the dissociation pathways of pPv-MgSiO3 are also clarified, and found to be different at low and high temperatures. The low-temperature pathway is MgSiO3. Mg2SiO4 + MgSi2O5 -> SiO2 + Mg2SiO4 -> MgO + SiO2, while the high-temperature pathway is MgSiO3 center dot Mg2SiO4 + MgSi2O5 center dot MgO + MgSi2O5 center dot MgO + SiO2. Present results are relevant for models of the internal structure of giant exoplanets, and for understanding the high-pressure behavior of materials.
部门归属	[niu, haiyang ; oganov, artem r.] moscow inst phys & technol, dolgoprudny city 141700, moscow region, russia ; [niu, haiyang ; chen, xing-qiu ; li, dianzhong] chinese acad sci, shenyang natl lab mat sci, inst met res, shenyang 110016, peoples r china ; [oganov, artem r.] skolkovo innovat ctr, skolkovo inst sci & technol, moscow 143026, russia ; [niu, haiyang ; oganov, artem r.] suny stony brook, ctr mat design, dept geosci, stony brook, ny 11794 usa ; [niu, haiyang ; oganov, artem r.] suny stony brook, inst adv computat sci, stony brook, ny 11794 usa ; [oganov, artem r.] northwestern polytech univ, sch mat sci, xian 710072, peoples r china
资助者	Government of the Russian Federation [14.A12.31.0003]; US National Science Foundation [EAR-1114313, DMR-1231586]; DARPA [W31P4Q1310005]; "Hundred Talents Project" of Chinese Academy of Sciences; NSFC of China [51074151]; Beijing Supercomputing Center of CAS (including its Shenyang branch)
收录类别	sci
语种	英语
WOS记录号	WOS:000367034600001
引用统计	被引频次：49[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/321006/75067
专题	中国科学院金属研究所
通讯作者	artem.oganov@stonybrook.edu; xingqiu.chen@imr.ac.cn
推荐引用方式 GB/T 7714	Niu, Haiyang,Oganov, Artem R.,Chen, Xing-Qiu,et al. Prediction of novel stable compounds in the Mg-Si-O system under exoplanet pressures[J]. SCIENTIFIC REPORTS,2015,5:-.
APA	Niu, Haiyang,Oganov, Artem R.,Chen, Xing-Qiu,Li, Dianzhong,artem.oganov@stonybrook.edu,&xingqiu.chen@imr.ac.cn.(2015).Prediction of novel stable compounds in the Mg-Si-O system under exoplanet pressures.SCIENTIFIC REPORTS,5,-.
MLA	Niu, Haiyang,et al."Prediction of novel stable compounds in the Mg-Si-O system under exoplanet pressures".SCIENTIFIC REPORTS 5(2015):-.