Spin-State Crossover of Iron in Lower-Mantle Minerals: Results of DFT+U Investigations

2010 ◽  
Vol 71 (1) ◽  
pp. 169-199 ◽  
Author(s):  
H. Hsu ◽  
K. Umemoto ◽  
Z. Wu ◽  
R. M. Wentzcovitch
Keyword(s):  
Spin State ◽  
Lower Mantle ◽  
Mantle Minerals

9. Spin-State Crossover of Iron in Lower-Mantle Minerals: Results of DFT+U Investigations

2010 ◽  
pp. 169-200 ◽  
Author(s):  
Han Hsu ◽  
Koichiro Umemoto ◽  
Zhongqing Wu ◽  
Renata M. Wentzcovitch
Keyword(s):  
Spin State ◽  
Lower Mantle ◽  
Mantle Minerals

scholarly journals Constraints on the composition and temperature of LLSVPs from seismic properties of lower mantle minerals

2021 ◽  
Vol 554 ◽  
pp. 116685
Author(s):  
Kenny Vilella ◽  
Thomas Bodin ◽  
Charles-Edouard Boukaré ◽  
Frédéric Deschamps ◽  
James Badro ◽  
...  
Keyword(s):  
Lower Mantle ◽  
Mantle Minerals ◽  
Seismic Properties

scholarly journals Electronic spin state of ferric iron in Al-bearing perovskite in the lower mantle

2005 ◽  
Vol 32 (17) ◽  
Author(s):  
Li Li ◽  
John P. Brodholt ◽  
Stephen Stackhouse ◽  
Donald J. Weidner ◽  
Maria Alfredsson ◽  
...  
Keyword(s):  
Spin State ◽  
Lower Mantle ◽  
Ferric Iron ◽  
Electronic Spin

scholarly journals Xenon iron oxides predicted as potential Xe hosts in Earth’s lower mantle

2020 ◽  
Vol 11 (1) ◽  
Author(s):  
Feng Peng ◽  
Xianqi Song ◽  
Chang Liu ◽  
Quan Li ◽  
Maosheng Miao ◽  
...  
Keyword(s):  
Iron Oxides ◽  
Lower Mantle ◽  
Search Algorithm ◽  
Mass Density ◽  
Mantle Minerals ◽  
Fe Oxides ◽  
Structure Search ◽  
Wide Range ◽  
Deep Earth ◽  
Calculated Mass

Abstract An enduring geological mystery concerns the missing xenon problem, referring to the abnormally low concentration of xenon compared to other noble gases in Earth’s atmosphere. Identifying mantle minerals that can capture and stabilize xenon has been a great challenge in materials physics and xenon chemistry. Here, using an advanced crystal structure search algorithm in conjunction with first-principles calculations we find reactions of xenon with recently discovered iron peroxide FeO2, forming robust xenon-iron oxides Xe2FeO2 and XeFe3O6 with significant Xe-O bonding in a wide range of pressure-temperature conditions corresponding to vast regions in Earth’s lower mantle. Calculated mass density and sound velocities validate Xe-Fe oxides as viable lower-mantle constituents. Meanwhile, Fe oxides do not react with Kr, Ar and Ne. It means that if Xe exists in the lower mantle at the same pressures as FeO2, xenon-iron oxides are predicted as potential Xe hosts in Earth’s lower mantle and could provide the repository for the atmosphere’s missing Xe. These findings establish robust materials basis, formation mechanism, and geological viability of these Xe-Fe oxides, which advance fundamental knowledge for understanding xenon chemistry and physics mechanisms for the possible deep-Earth Xe reservoir.

Effect of composition, structure, and spin state on the thermal conductivity of the Earth's lower mantle

2010 ◽  
Vol 180 (3-4) ◽  
pp. 148-153 ◽  
Author(s):  
A.F. Goncharov ◽  
V.V. Struzhkin ◽  
J.A. Montoya ◽  
S. Kharlamova ◽  
R. Kundargi ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Spin State ◽  
Lower Mantle ◽  
Composition Structure

Iron spin state in silicate glass at high pressure: Implications for melts in the Earthʼs lower mantle

2014 ◽  
Vol 385 ◽  
pp. 130-136 ◽  
Author(s):  
C. Prescher ◽  
C. Weigel ◽  
C. McCammon ◽  
O. Narygina ◽  
V. Potapkin ◽  
...  
Keyword(s):  
High Pressure ◽  
Silicate Glass ◽  
Spin State ◽  
Lower Mantle

Spin state and electronic environment of iron in basaltic glass in the lower mantle

2017 ◽  
Vol 102 (10) ◽  
pp. 2106-2112 ◽  
Author(s):  
Fumiya Maeda ◽  
Seiji Kamada ◽  
Eiji Ohtani ◽  
Naohisa Hirao ◽  
Takaya Mitsui ◽  
...  
Keyword(s):  
Spin State ◽  
Lower Mantle ◽  
Basaltic Glass ◽  
Electronic Environment

scholarly journals Electronic spin state of iron in lower mantle perovskite

2004 ◽  
Vol 101 (39) ◽  
pp. 14027-14030 ◽  
Author(s):  
J. Li ◽  
V. V. Struzhkin ◽  
H.-k. Mao ◽  
J. Shu ◽  
R. J. Hemley ◽  
...  
Keyword(s):  
Spin State ◽  
Lower Mantle ◽  
Electronic Spin
Sign in / Sign up

Export Citation Format

Share Document