M. Marcondes

collaborators

3 papers

cond-mat.mtrl-sci2024

Probing $C a_{3} T i_{2} O_{7}$ crystal structure at the atomic level: Insights from $^{111 m} C d /^{111} C d$ PAC spectroscopy and ab-initio studies

P. Rocha-Rodrigues, I. P. Miranda, S. S. M. Santos +8

Perturbed angular correlation spectroscopy combined with $ab - ini t i o$ electronic structure calculations is used to unravel the structural phase transition path from the low-temperat…

physics.geo-ph2020

Phonon dispersions throughout the iron spin crossover in ferropericlase

Michel L. Marcondes, Fawei Zheng, Renata M. Wentzcovitch

Ferropericlase (Fp), (Mg $_{1 - x}$ Fe $_{x}$ )O, is the second most abundant phase in the Earths lower mantle. At relevant pressure-temperature conditions, iron in Fp unde…

cond-mat.mtrl-sci2018

Stability of calcium and magnesium carbonates at lower mantle thermodynamic conditions

Samuel S. M. Santos, Michel L. Marcondes, João F. Justo +1

We present a theoretical investigation, based on ab initio calculations and the quasi-harmonic approximation, on the stability properties of magnesium (MgCO $_{3}$ ) and calcium (CaCO$…

Probing Ca3​Ti2​O7​ crystal structure at the atomic level: Insights from 111mCd/111Cd PAC spectroscopy and ab-initio studies

Phonon dispersions throughout the iron spin crossover in ferropericlase

Stability of calcium and magnesium carbonates at lower mantle thermodynamic conditions

Probing $C a_{3} T i_{2} O_{7}$ crystal structure at the atomic level: Insights from $^{111 m} C d /^{111} C d$ PAC spectroscopy and ab-initio studies