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We present LDA+U calculations of high temperature elastic properties of bridgmanite with composition (Mg$_{(1-x)}$Fe$_{x}^{2+}$)SiO$_3$ for $0le{x}le0.125$. Results of elastic moduli and acoustic velocities for the Mg-end member (x=0) agree very well with the latest high pressure and high temperature experimental measurements. In the iron-bearing system, we focus particularly on the change in thermoelastic parameters across the state change that occurs in ferrous iron above $sim$30 GPa, often attributed to a high-spin (HS) to intermediate spin (IS) crossover but explained by first principles calculations as a lateral displacement of substitutional iron in the perovskite cage. We show that the measured effect of this change on the equation of state of this system can be explained by the lateral displacement of substitutional iron, not by the HS to IS crossover. The calculated elastic properties of (Mg$_{0.875}$Fe$_{0.125}^{2+}$)SiO$_3$ along an adiabatic mantle geotherm, somewhat overestimate longitudinal velocities but produce densities and shear velocities quite consistent with Preliminary Reference Earth Model data throughout most of the lower mantle.
Nine samples of ochre originating from the Sentier des Ocres near Roussillon, France, were studied with Mossbauer spectroscopy and Spectro-photo-colorimetry. The former yielded a quantitative phase analysis of iron containing minerals (goethite, hema
The upper critical field Hc2 anisotropy of Ca10(PtnAs8)(Fe2-xPtxAs2)5 (n = 3, 4) single crystals with long FeAs interlayer distance (d) was studied by angular dependent resistivity measurements. A scaling of the angular dependent resistivity was real
Ever since the discovery of high-Tc superconductivity in layered cuprates, the roles that individual layers play have been debated, due to difficulty in layer-by-layer characterization. While there is similar challenge in many Fe-based layered superc
We report a structural transition found in Ca10(Ir4As8)(Fe2-xIrxAs2)5, which exhibits superconductivity at 16 K. The c-axis parameter is doubled below a structural transition temperature of approximately 100 K, while the tetragonal symmetry with spac
Given a kink bearing Hamiltonian, Isospectral Hamiltonian approach is used in generating new sets of Hamiltonains which also admit kink solutions. We use Sine-Gordon model as a example and explicitly work out the new sets of potentials and the solutions.