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DOI: 10.1002/2016GL069374
论文题名:
Stability of B2-type FeS at Earth's inner core pressures
作者: Gavryushkin P.N.; Popov Z.I.; Litasov K.D.; Belonoshko A.B.; Gavryushkin A.
刊名: Geophysical Research Letters
ISSN: 0094-8721
EISSN: 1944-8452
出版年: 2016
卷: 43, 期:16
起始页码: 8435
结束页码: 8440
语种: 英语
英文关键词: density functional theaory ; Earth's inner core ; FeS ; iron ; sulfur
Scopus关键词: Crystal structure ; Iron ; Solid solutions ; Stability ; Sulfur ; B2 structures ; Body-centered cubic ; Dynamical stability ; Earth's inner cores ; Hexagonal close-packed irons ; Mechanical mixtures ; Structural distortions ; Sulfur atoms ; Density functional theory
英文摘要: Using density functional theory, we investigated how substituting sulfur atoms for iron atoms affects the structure and energy of the body centered cubic and hexagonal close-packed iron phases at 350 GPa and at 0 K. We conclude that formation of random (Fe,S) solid solutions is energetically favorable in all intermediate compositions, although the random low-symmetry substitutions cause structural distortion. The (Fe,S) solid solution is nearly as favorable as the mechanical mixture of Fe-hcp and FeS-B2. This finding, in combination with dynamical stability, defines the B2 structure as a strong candidate for the sulfur-bearing phase of the Earth's inner core. ©2016. American Geophysical Union. All Rights Reserved.
URL: https://www.scopus.com/inward/record.uri?eid=2-s2.0-84983315352&doi=10.1002%2f2016GL069374&partnerID=40&md5=ad5cbd98fd2c22d6c7cdabdd00c0e4db
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资源类型: 期刊论文
标识符: http://119.78.100.158/handle/2HF3EXSE/9684
Appears in Collections:科学计划与规划
气候变化与战略

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作者单位: Sobolev Institute of Geology and Mineralogy Siberian Branch, Russian Academy of Science, Novosibirsk, Russian Federation

Recommended Citation:
Gavryushkin P.N.,Popov Z.I.,Litasov K.D.,et al. Stability of B2-type FeS at Earth's inner core pressures[J]. Geophysical Research Letters,2016-01-01,43(16).
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