A recently discovered phase of orthorhombic iron carbide o-Fe7C3 [Prescher et al., Nat. Geosci. 8, 220 (2015)10.1038/ngeo2370] is assessed as a potentially important phase for interpretation of the properties of the Earth's core. In this paper, we carry out first-principles calculations on o-Fe7C3, finding properties to be in broad agreement with recent experiments, including a high Poisson's ratio (0.38). Our enthalpy calculations suggest that o-Fe7C3 is more stable than Eckstrom-Adcock hexagonal iron carbide (h-Fe7C3) below approximately 100 GPa. However, at 150 GPa, the two phases are essentially degenerate in terms of Gibbs free energy, and further increasing the pressure towards Earth's core conditions stabilizes h-Fe7C3 with respect t...
Iron carbide Fe7C3 has recently emerged as a potential host of reduced carbon in Earth’s mantle and ...
We summarize the main ideas used to determine the thermodynamic properties of pure systems and binar...
The orthorhombic phase of Si-doped Fe carbide is synthesized at high-pressures and temperatures usin...
A recently discovered phase of orthorhombic iron carbide o-Fe7C3 [Prescher et al., Nat. Geosci. 8, 2...
The iron carbide Fe7C3 exhibits two types of basic crystal structures, an orthorhombic (o-) form and...
The nature of the stable phase of iron in the Earth's solid inner core is still highly controversial...
The Earth’s core is largely composed of iron (Fe), alloyed with less dense elements such as sulphur,...
Carbon is a plausible light element candidate in the Earth's core owing to its cosmic abundance...
The Earth’s core is largely composed of iron (Fe). The phase relations and physical properties of bo...
The formation enthalpy of a series of Fe-C carbides has been estimated using a first-principles appr...
The inferred density of the solid inner core indicates that it is predominantly made of iron. In ord...
It has been proposed that iron has a significant effect on the relative stability of carbonate phase...
The Earth's core is largely composed of iron (Fe). The phase relations and physical properties of bo...
It has recently been reported, on the basis of extrapolated experimental data, that the iron carbide...
Ab initio finite temperature molecular dynamics simulations have been used to calculate the free ene...
Iron carbide Fe7C3 has recently emerged as a potential host of reduced carbon in Earth’s mantle and ...
We summarize the main ideas used to determine the thermodynamic properties of pure systems and binar...
The orthorhombic phase of Si-doped Fe carbide is synthesized at high-pressures and temperatures usin...
A recently discovered phase of orthorhombic iron carbide o-Fe7C3 [Prescher et al., Nat. Geosci. 8, 2...
The iron carbide Fe7C3 exhibits two types of basic crystal structures, an orthorhombic (o-) form and...
The nature of the stable phase of iron in the Earth's solid inner core is still highly controversial...
The Earth’s core is largely composed of iron (Fe), alloyed with less dense elements such as sulphur,...
Carbon is a plausible light element candidate in the Earth's core owing to its cosmic abundance...
The Earth’s core is largely composed of iron (Fe). The phase relations and physical properties of bo...
The formation enthalpy of a series of Fe-C carbides has been estimated using a first-principles appr...
The inferred density of the solid inner core indicates that it is predominantly made of iron. In ord...
It has been proposed that iron has a significant effect on the relative stability of carbonate phase...
The Earth's core is largely composed of iron (Fe). The phase relations and physical properties of bo...
It has recently been reported, on the basis of extrapolated experimental data, that the iron carbide...
Ab initio finite temperature molecular dynamics simulations have been used to calculate the free ene...
Iron carbide Fe7C3 has recently emerged as a potential host of reduced carbon in Earth’s mantle and ...
We summarize the main ideas used to determine the thermodynamic properties of pure systems and binar...
The orthorhombic phase of Si-doped Fe carbide is synthesized at high-pressures and temperatures usin...