High-pressure experimental and computational XANES studies of (Mg,Fe)(Si,Al)O3 perovskite and (Mg,Fe)O ferropericlase as in the Earth's lower mantle

被引：19

作者：

Narygina, O. ^{[1
]}

Mattesini, M. ^{[2
]}

Kantor, I. ^{[3
]}

Pascarelli, S. ^{[4
]}

Wu, X. ^{[1
]}

Aquilanti, G. ^{[4
]}

McCammon, C. ^{[1
]}

Dubrovinsky, L. ^{[1
]}

机构：

[1] Univ Bayreuth, Bayer Geoinst, D-95440 Bayreuth, Germany

[2] Univ Complutense Madrid, Dept Fis Tierra Astron & Astrofis 1, E-28040 Madrid, Spain

[3] Univ Chicago, CARS, Chicago, IL 60637 USA

[4] European Synchrotron Radiat Facil, F-38043 Grenoble, France

来源：

PHYSICAL REVIEW B | 2009年 / 79卷 / 17期

关键词：

ab initio calculations; band structure; Earth mantle; high-pressure effects; iron compounds; magnesium compounds; magnetic transitions; XANES; ABSORPTION-SPECTROSCOPY; MOSSBAUER-SPECTROSCOPY; SYNCHROTRON MOSSBAUER; OXIDATION-STATE; SPIN TRANSITION; IRON; TEMPERATURE; SPECTRA;

D O I：

10.1103/PhysRevB.79.174115

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Seven iron-containing oxides and silicates including (Mg-0.88,Fe-0.12)SiO, (Mg-0.86,Fe-0.14)(Si-0.98,Al-0.02)O-3 perovskites, and (Mg-0.80,Fe-0.20) ferropericlase were studied using Fe K-edge x-ray absorption near edge spectroscopy under pressure up to 85 GPa at ambient temperature. First-principles calculations of Fe K-edges of (Mg-0.88,Fe-0.12)SiO perovskite and (Mg-0.80,Fe-0.20)O ferropericlase were performed using a spin-dependent method. The amount and quality of the data collected allows performance of a systematic study of the absorption edge features as a function of pressure in these geophysically important systems, providing direct experimental validation for band-structure calculations. The comparison between experiment and theory allows analyzing in detail the effect of Fe valence and spin state modifications on the spectra, allowing to confirm qualitatively the presence of a pressure induced spin pairing transition in (Mg,Fe)O ferropericlase and a high-spin intermediate spin crossover in (Mg,Fe)(Si,Al)O-3 perovskite.

引用

页数：10

共 40 条

[21] Crystal chemistry and compressibility of Fe0.5Mg0.5Al0.5Si0.5O3 and FeMg0.5Si0.5O3 silicate perovskites at pressures up to 95 GPa [J].

Koemets, Iuliia ;

Wang, Biao ;

Koemets, Egor ;

Ishii, Takayuki ;

Liu, Zhaodong ;

Mccammon, Catherine ;

Chanyshev, Artem ;

Katsura, Tomo ;

Hanfland, Michael ;

Chumakov, Alexander ;

Dubrovinsky, Leonid .

FRONTIERS IN CHEMISTRY, 2023, 11

[22] Effect of porosity and α-Al(Fe/Mn)Si phase on ductility of high-pressure die-casting Al-7Si-0.2Mg alloy [J].

Yang, Yu -tong ;

Huang, Shi-yao ;

Zheng, Jiang ;

Yang, Li ;

Cheng, Xiao-nong ;

Chen, Rui-kai ;

Han, Wei-jian .

TRANSACTIONS OF NONFERROUS METALS SOCIETY OF CHINA, 2024, 34 (02) :378-391

[23] Equation of state and spin crossover of (Mg,Fe)O at high pressure, with implications for explaining topographic relief at the core-mantle boundary [J].

Solomatova, Natalia V. ;

Jackson, Jennifer M. ;

Sturhahn, Wolfgang ;

Wicks, June K. ;

Zhao, Jiyong ;

Toellner, Thomas S. ;

Kalkan, Bora ;

Steinhardt, William M. .

AMERICAN MINERALOGIST, 2016, 101 (5-6) :1084-1093

[24] Synthesis and equation of state of post-perovskites in the (Mg,Fe)3Al2Si3O12 system [J].

Shieh, Sean R. ;

Dorfman, Susannah M. ;

Kubo, Atsushi ;

Prakapenka, Vitali B. ;

Duffy, Thomas S. .

EARTH AND PLANETARY SCIENCE LETTERS, 2011, 312 (3-4) :422-428

[25] Synthesis and equation of state of perovskites in the (Mg, Fe)3Al2Si3O12 system to 177 GPa [J].

Dorfman, Susannah M. ;

Shieh, Sean R. ;

Meng, Yue ;

Prakapenka, Vitali B. ;

Duffy, Thomas S. .

EARTH AND PLANETARY SCIENCE LETTERS, 2012, 357 :194-202

[26] Chromium solubility in perovskite at high pressure: The structure of (Mg1-xCrx)(Si1-xCrx)O3 (with x = 0.07) synthesized at 23 GPa and 1600 °C [J].

Bindi, Luca ;

Sirotkina, Ekaterina A. ;

Bobrov, Andrey V. ;

Irifune, Tetsuo .

AMERICAN MINERALOGIST, 2014, 99 (04) :866-869

[27] High-pressure synthesis and magnetic properties of a Fe/Ru disordered quadruple perovskite CaCu3Fe2Ru2O12 [J].

Li, Sumei ;

Pan, Chengbing ;

Zhao, Gaochao ;

Wang, Meng ;

Tao, Ming ;

Yin, Lihua ;

Song, Wenhai ;

Yang, Jie ;

Zhu, Xuebin ;

Sun, Yuping .

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2023, 588

[28] High-pressure synthesis, electronic states, and structure-property relationships of perovskite oxides, ACu3Fe4O12 (A: divalent alkaline earth or trivalent rare-earth ion) [J].

Yamada, Ikuya .

JOURNAL OF THE CERAMIC SOCIETY OF JAPAN, 2014, 122 (1430) :846-851

[29] Study of phase transformations on nano-crystalline (La,Sr)(Mn,Fe)O3 systems by high-pressure Mossbauer spectroscopy [J].

Chandra, Usha ;

Mudgal, Prerana ;

Kumar, Manoj .

SHOCK COMPRESSION OF CONDENSED MATTER - 2005, PTS 1 AND 2, 2006, 845 :200-203

[30] Rapid synthesis, structure and photocatalysis of pure bismuth A-site perovskite of Bi(Mg3/8Fe2/8Ti3/8)O3 [J].

Zhang, Wenjuan ;

Chen, Jun ;

An, Xiaoxin ;

Wang, Qi ;

Fan, Longlong ;

Wang, Fangfang ;

Deng, Jinxia ;

Yu, Ranbo ;

Xing, Xianran .

DALTON TRANSACTIONS, 2014, 43 (24) :9255-9259

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