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DOI | 10.1002/2017GL073545 |
First-principles prediction of Si-doped Fe carbide as one of the possible constituents of Earth's inner core | |
Das, Tilak1,2; Chatterjee, Swastika3; Ghosh, Sujoy4; Saha-Dasgupta, Tanusri2 | |
2017-09-16 | |
发表期刊 | GEOPHYSICAL RESEARCH LETTERS
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ISSN | 0094-8276 |
EISSN | 1944-8007 |
出版年 | 2017 |
卷号 | 44期号:17 |
文章类型 | Article |
语种 | 英语 |
国家 | India |
英文摘要 | We perform a computational study based on first-principles calculations to investigate the relative stability and elastic properties of the doped and undoped Fe carbide compounds at 200-364GPa. We find that upon doping a few weight percent of Si impurities at the carbon sites in Fe7C3 carbide phases, the values of Poisson's ratio and density increase while V-P, and V-S decrease compared to their undoped counterparts. This leads to marked improvement in the agreement of seismic parameters such as P wave and S wave velocity, Poisson's ratio, and density with the Preliminary Reference Earth Model (PREM) data. The agreement with PREM data is found to be better for the orthorhombic phase of iron carbide (o-Fe7C3) compared to hexagonal phase (h-Fe7C3). Our theoretical analysis indicates that Fe carbide containing Si impurities can be a possible constituent of the Earth's inner core. Since the density of undoped Fe7C3 is low compared to that of inner core, as discussed in a recent theoretical study, our proposal of Si-doped Fe7C3 can provide an alternative solution as an important component of the Earth's inner core. |
领域 | 气候变化 |
收录类别 | SCI-E |
WOS记录号 | WOS:000411702400012 |
WOS关键词 | IRON-NICKEL ALLOYS ; C SYSTEM ; LIGHT-ELEMENTS ; HIGH-PRESSURE ; EXPERIMENTAL CONSTRAINTS ; SOUND VELOCITIES ; CARBON ; FE7C3 ; STATE ; THERMODYNAMICS |
WOS类目 | Geosciences, Multidisciplinary |
WOS研究方向 | Geology |
引用统计 | |
文献类型 | 期刊论文 |
条目标识符 | http://119.78.100.173/C666/handle/2XK7JSWQ/25785 |
专题 | 气候变化 |
作者单位 | 1.Indian Inst Sci Educ & Research Kolkata, Dept Phys Sci, Nadia, India; 2.SN Bose Natl Ctr Basic Sci, Dept Condensed Matter Phys & Mat Sci, Kolkata, India; 3.Indian Inst Technol, Dept Phys, Kharagpur, W Bengal, India; 4.Indian Inst Technol, Dept Geol & Geophys, Kharagpur, W Bengal, India |
推荐引用方式 GB/T 7714 | Das, Tilak,Chatterjee, Swastika,Ghosh, Sujoy,et al. First-principles prediction of Si-doped Fe carbide as one of the possible constituents of Earth's inner core[J]. GEOPHYSICAL RESEARCH LETTERS,2017,44(17). |
APA | Das, Tilak,Chatterjee, Swastika,Ghosh, Sujoy,&Saha-Dasgupta, Tanusri.(2017).First-principles prediction of Si-doped Fe carbide as one of the possible constituents of Earth's inner core.GEOPHYSICAL RESEARCH LETTERS,44(17). |
MLA | Das, Tilak,et al."First-principles prediction of Si-doped Fe carbide as one of the possible constituents of Earth's inner core".GEOPHYSICAL RESEARCH LETTERS 44.17(2017). |
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