Phase transitions of FeO under laser shock compression
arXiv:2402.18432 · doi:10.1103/PhysRevLett.134.176102
Abstract
We present in-situ x-ray diffraction and velocity measurements of FeO under laser shock compression at pressures between 38-116 GPa. None of the phases reported by static compression studies were observed. Instead, we observed an isostructural phase transition from -FeO to a new -FeO phase at a pressure of 50-62 GPa. The -FeO phase differs from -FeO by an 11% volume drop and a different unit cell compressibility. We further observed a two-wave structure in the velocity profile, which can be related to an intermediate regime where both and phases coexist. Density functional theory calculations with a Hubbard parameter indicate that the observed unit cell volume drop can be associated with a spin transition following a magnetic collapse.
7 pages, 5 figures
References in corpus (11)
- Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
- Restoring the density-gradient expansion for exchange in solids and surfaces
- Generalized gradient approximation for solids and their surfaces
- Advanced capabilities for materials modelling with Quantum ESPRESSO
- A linear response approach to the calculation of the effective interaction parameters in the LDA+U method
- Experimental and theoretical evidence for pressure-induced metallization in FeO with the rock-salt type structure
- Pressure-Driven Metal-Insulator Transition in Hematite from Dynamical Mean-Field Theory
- Theoretical and experimental evidence of a site-selective Mott transition in Fe2O3 under pressure
- Local Structure and Spin Transition in Fe2O3 Hematite at High-Pressure
- Atomistic deformation mechanism of silicon under laser-driven shock compression
- Shock-driven amorphization and melt in FeO