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The magnetic structure and phase diagram of the layered ferromagnetic compound Fe$_3$GeTe$_2$ has been investigated by a combination of synthesis, x-ray and neutron diffraction, high resolution microscopy, and magnetization measurements.…

Strongly Correlated Electrons · Physics 2016-01-13 Andrew F. May , Stuart Calder , Claudia Cantoni , Huibo Cao , Michael A. McGuire

We have used density-functional-theory methods and the ab initio random structure searching (AIRSS) approach to predict stable structures and stoichiometries of mixtures of iron and oxygen at high pressures. Searching was performed for 12…

Materials Science · Physics 2015-08-24 Gihan L. Weerasinghe , R. J. Needs , Chris J. Pickard

It has been assumed that hydrogen is negligibly incorporated into core-forming metals below $\sim$3 GPa, and therefore the presence of hydrogen in iron cores of small terrestrial bodies including the moon has not been considered. Here we…

Materials Science · Physics 2026-04-15 Jun Takeshita , Kei Hirose , Suyu Fu , Fumiya Sakai , Koutaro Hikosaka

Fe, Mg, and O are among the most abundant elements in terrestrial planets. While the behavior of the Fe-O, Mg-O, and Fe-Mg binary systems under pressure have been investigated, there are still very few studies of the Fe-Mg-O ternary system…

Chondrites, the building blocks of the terrestrial planets, have mass and atomic proportions of oxygen, iron, magnesium, and silicon totaling $\geq$90\% and variable Mg/Si ($\sim$25\%), Fe/Si (factor of $\geq$2), and Fe/O (factor of…

Earth and Planetary Astrophysics · Physics 2020-09-10 William F. McDonough , Takashi Yoshizaki

Precisely determining the oxidation states of metal cations within variable-valence transition metal oxides remains a significant challenge, yet it is crucial for understanding and predicting the properties of these technologically…

Materials Science · Physics 2024-09-25 Hao Chen , Yun Liu , Hexin Zhang , Shengdi Zhao , Slavomir Nemsak , Haishan Liu , Miquel Salmeron

Studies of the Earth's atmosphere have shown that more than 90% of xenon (Xe) is depleted compared with its abundance in chondritic meteorites. This long-standing missing Xe paradox has become the subject of considerable interest and…

Geophysics · Physics 2014-06-27 Li Zhu , Hanyu Liu , Chris J. Pickard , Guangtian Zou , Yanming Ma

Using ab initio thermodynamics we compile a phase diagram for the surface of Fe3O4(001) as a function of temperature and oxygen pressures. A hitherto ignored polar termination with octahedral iron and oxygen forming a wave-like structure…

Materials Science · Physics 2009-11-11 R. Pentcheva , F. Wendler , H. L. Meyerheim , W. Moritz , N. Jedrecy , M. Scheffler

The archetypal $3d$ Mott insulator hematite, Fe$_2$O$_3$, is one of the basic oxide components playing an important role in mineralogy of Earth's lower mantle. Its high pressure-temperature behavior, such as the electronic properties,…

Strongly Correlated Electrons · Physics 2019-10-07 I. Leonov , G. Kh. Rozenberg , I. A. Abrikosov

First principles electronic structure calculations based on density functional theory have been used to study the thermodynamic, structural and transport properties of solid solutions and liquid alloys of iron and oxygen at Earth's core…

Geophysics · Physics 2009-10-31 Dario Alfe` , G. David Price , Michael J. Gillan

This paper describes a new grid for the mass-radius relation of 3-layer exoplanets within the mass range of 0.1 through 100 Earth Masses. The 3 layers are: Fe (epsilon iron), MgSiO3 (including both the perovskite phase, post-perovskite…

Earth and Planetary Astrophysics · Physics 2014-03-20 Li Zeng , Dimitar D. Sasselov

Due to their different nucleosynthetic origin, a stellar population produces oxygen (O) and iron (Fe) on different timescales and their relative abundance can deviate strongly from solar. Galaxy formation models should treat these elements…

Interfacial reaction between iron and MgO has been studied in situ during deposition of iron on MgO surface, using soft x-ray absorption spectroscopy. High sensitivity of the technique which is capable of detecting even a sub monolayer of a…

Materials Science · Physics 2019-02-20 Pramod Vishwakarma , Mukul Gupta , D. M. Phase , Ajay Gupta

Earth core is composed of iron (Fe) alloyed with light elements, e.g., silicon (Si). Its thermal conductivity critically affects Earth thermal structure, evolution, and dynamics, as it controls the magnitude of thermal and compositional…

The transport properties (electrical resistivity, thermal conductivity, and viscosity) of iron-hydrogen alloys are of great significance in the stability and evolution of planetary magnetic fields. Here, we investigate the thermal transport…

Materials Science · Physics 2025-02-28 Cong Liu , Ronald Cohen

From core to atmosphere, the oxidation states of elements in a planet shape its character. Oxygen fugacity (fO$_2$) is one parameter indicating these likely oxidation states. The ongoing search for atmospheres on rocky exoplanets benefits…

Earth and Planetary Astrophysics · Physics 2023-08-21 Claire Marie Guimond , Oliver Shorttle , Sean Jordan , John F. Rudge

Samples of the Ru1-xFexSr2GdCu2O8 system with x = 0, 0.025, 0.05, 0.075, 0.1 and 0.2, were prepared and their structural, superconducting and magnetic properties were studied. Rietveld refinement of the X-ray diffraction patterns show that…

Superconductivity · Physics 2007-05-23 R. Escamilla , F. Morales , T. Akachi , R. Gomez

Terrestrial exoplanets are of great interest for being simultaneously similar to and different from Earth. Their compositions are likely comparable to those of solar-terrestrial objects, but their internal pressures and temperatures can…

Seismic observations show a reduced compressional-wave gradient at the base of the outer core relative to the preliminary reference Earth model and seismic wave asymmetry between the east-west hemispheres at the top of the inner core. Here,…

Geophysics · Physics 2019-10-28 Youjun Zhang , Peter Nelson , Nick Dygert , Jung-Fu Lin

The elemental compositions of exoplanets encode information about their formation environments and internal structures. While volatile ratios such as carbon-to-oxygen (C/O) are used to trace formation location, the rock-forming elements -…