M. Marcondes

activity

20182024

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

4 citations · 4 across the 2 of their papers we have counts for

collaborators

Showing cond-mat.mtrl-sciShow all

3 papers · 1 filter

cond-mat.mtrl-sci2024★ 4 cited

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…

cond-mat.mtrl-sci2023

Pressure-Induced Phase Transformations of Quasi-2D Sr $_{3}$ Hf $_{2}$ O $_{7}$

M. C. B. Barbosa, E. Lora da Silva, P. Neenu Lekshmi +5

We present an \textit{ab-initio} study of the quasi-2D layered perovskite Sr $_{3}$ Hf $_{2}$ O $_{7}$ com\-pound, performed within the framework of the Density Functional Theory and lattice…

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

Pressure-Induced Phase Transformations of Quasi-2D Sr3​Hf2​O7​

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

Pressure-Induced Phase Transformations of Quasi-2D Sr $_{3}$ Hf $_{2}$ O $_{7}$