International audienceInvestigation of the structural and electronic properties of solid and liquid FeO at high pressures and temperatures is of great interest in geophysics and planetary sciences, as well as in condensed-matter physics. FeO is a typical Mott insulator under ambient conditions and a prototypical highly correlated transition metal oxide. Different electronic and structural transitions occur in FeO under compression at ambient temperature. Along with other transition metal oxides, it undergoes a spin crossover and it metalizes under pressure (Ohta et al., 2012). One of the open questions is to understand if the metalization and the transition from high spin to low spin state in the solid state are simply concomitant or more i...
In this work, we study the pressure-induced spin state transition in BiFeO3 by using ab initio elect...
The pressure evolution of the local structure of Fe2O3 hematite has been determined by extended x-ra...
In this work, we study the pressure-induced spin state transition in BiFeO3 by using ab initio elect...
Phase transitions at high pressure are typically expressed as changes in the material’s crystal stru...
Linearized augmented plane wave (LAPW) results are presented for FeO at high pressures using the Gen...
We use first-principles free-energy calculations to predict a pressure-induced spin crossover in the...
In this work we report the LDA+DMFT (method combining local-density approximation with dynamical mea...
We discuss the electronic, magnetic, and related structural transitions in the iron-based Mott insul...
We discuss the electronic, magnetic, and related structural transitions in the iron-based Mott insul...
We discuss the electronic, magnetic, and related structural transitions in the iron-based Mott insul...
International audienceThe electronic ground state and magnetic properties of the wide-gapped antifer...
We present a detailed theoretical study of the electronic, magnetic, and structural properties of ma...
We present a detailed theoretical study of the electronic, magnetic, and structural properties of ma...
We present a detailed theoretical study of the electronic, magnetic, and structural properties of ma...
The discovery of FeO2 containing more oxygen than hematite (Fe2O3), which was previously believed to...
In this work, we study the pressure-induced spin state transition in BiFeO3 by using ab initio elect...
The pressure evolution of the local structure of Fe2O3 hematite has been determined by extended x-ra...
In this work, we study the pressure-induced spin state transition in BiFeO3 by using ab initio elect...
Phase transitions at high pressure are typically expressed as changes in the material’s crystal stru...
Linearized augmented plane wave (LAPW) results are presented for FeO at high pressures using the Gen...
We use first-principles free-energy calculations to predict a pressure-induced spin crossover in the...
In this work we report the LDA+DMFT (method combining local-density approximation with dynamical mea...
We discuss the electronic, magnetic, and related structural transitions in the iron-based Mott insul...
We discuss the electronic, magnetic, and related structural transitions in the iron-based Mott insul...
We discuss the electronic, magnetic, and related structural transitions in the iron-based Mott insul...
International audienceThe electronic ground state and magnetic properties of the wide-gapped antifer...
We present a detailed theoretical study of the electronic, magnetic, and structural properties of ma...
We present a detailed theoretical study of the electronic, magnetic, and structural properties of ma...
We present a detailed theoretical study of the electronic, magnetic, and structural properties of ma...
The discovery of FeO2 containing more oxygen than hematite (Fe2O3), which was previously believed to...
In this work, we study the pressure-induced spin state transition in BiFeO3 by using ab initio elect...
The pressure evolution of the local structure of Fe2O3 hematite has been determined by extended x-ra...
In this work, we study the pressure-induced spin state transition in BiFeO3 by using ab initio elect...