Oxygen-Driven Enhancement of the Electron Correlation in Hexagonal Iron at Earth?s Inner Core Conditions

被引：1

作者：

Jang, Bo Gyu ^{[1
,2
]}

He, Yu ^{[1
,3
]}

Shim, Ji Hoon ^{[4
,5
]}

Mao, Ho-kwang ^{[1
]}

Kim, Duck Young ^{[1
,6
]}

机构：

[1] Ctr High Pressure Sci & Technol Adv Res HPSTAR, Shanghai 201203, Peoples R China

[2] Korea Inst Adv Study, Seoul 02455, South Korea

[3] Chinese Acad Sci, Inst Geochem, Key Lab High Temp & High Pressure Study Earths Int, Guiyang 550081, Guizhou, Peoples R China

[4] Pohang Univ Sci & Technol, Dept Chem, Pohang 37673, South Korea

[5] Pohang Univ Sci & Technol, Div Adv Mat Sci, Pohang 37673, South Korea

[6] Shanghai Adv Res Phys Sci SHARPS, Shanghai Key Lab Mat Frontiers Res Extreme Environ, Pudong 201203, Shanghai, Peoples R China

来源：

JOURNAL OF PHYSICAL CHEMISTRY LETTERS | 2023年 / 14卷 / 16期

基金：

美国国家科学基金会; 中国国家自然科学基金; 新加坡国家研究基金会;

关键词：

ELASTIC PROPERTIES; OUTER CORE; FE ALLOYS; HCP-FE; VELOCITIES; ANISOTROPY; STABILITY; PHASE;

D O I：

10.1021/acs.jpclett.3c00500

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Earth's inner core (IC) consists of mainly iron with some light elements. Understanding its structure and related physical properties has been elusive as a result of its required extremely high pressure and temperature conditions. The phase of iron, elastic anisotropy, and density-velocity deficit at the IC have long been questions of great interest. Here, we find that the electron correlation effect is enhanced by oxygen and modifies several important features, including the stability of iron oxides. Oxygen atoms energetically stabilize hexagonal-structured iron at IC conditions and induce elastic anisotropy. Electrical resistivity is much enhanced in comparison to pure hexagonal close-packed (hcp) iron as a result of the enhanced electron correlation effect, supporting the conventional thermal convection model. Moreover, our calculated seismic velocity shows a quantitative match with geologically observed preliminary reference Earth model (PREM) data. We suggest that oxygen is the essential light element to understand and model Earth's IC.

引用

页码：3884 / 3890

页数：7

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