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20092026
most citedLearning the exchange-correlation functional from nature with fully differentiable density functional theory

102 citations · 466 across the 48 of their papers we have counts for

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11 papers · 1 filter

cond-mat.mtrl-sci2026

Electronic-Entropy-Driven Phase Transitions in Compressed Iron Oxides

S. Azadi, S. M. Vinko, C. Crepisson +3

Electronic entropy is usually treated as a secondary correction to structural stability, but under strong electronic excitation it can become a primary thermodynamic driving force.…

cond-mat.mtrl-sci2026

From Entropy to Compression: Competing Thermodynamic Drivers of Structural Transitions in Transition Metals

S. Azadi, S. M. Vinko, A. Principi +2

Solid-solid phase transitions in metals are traditionally driven by changes in density or external pressure. Here we show that, under strong electronic excitation, structural stabi…

cond-mat.mtrl-sci2026

Volume Collapse Without a Structural Transition in Shock-Compressed FeO

C. Crépisson, T. Stevens, M. Fitzgerald +121

We report x-ray diffraction and emission spectroscopy of FeO under laser-driven shock compression between 31-199 GPa. FeO retains the B1 (rocksalt) structure along the Hugoniot to…

cond-mat.mtrl-sci2026★ 1 cited

Electronic-Entropy-Driven Solid-Solid Phase Transitions in Elemental Metals

S. Azadi, S. M. Vinko, A. Principi +2

We compute the thermodynamic phase diagram of seventeen elemental metals with hexagonal close-packed (hcp), face-centered cubic (fcc), and body-centered cubic (bcc) crystal structu…

cond-mat.mtrl-sci2025

Structural evolution of iron oxides melts at Earth's outer-core pressures

Céline Crépisson, Mila Fitzgerald, Domenic Peake +32

Oxygen and other light elements comprise up to 5 wt% of the Earth's outer-core, and may significantly influence its physical properties and the operation of the geodynamo. Here we…

cond-mat.mtrl-sci2025★ 2 cited

Electronic Temperature-Driven Phase Stability and Structural Evolution of Iron at High Pressure

S. Azadi, S. M. Vinko

We present Gibbs free-energy phase diagrams for compressed iron within a pressure range of 20 to 300 GPa and electronic temperature up to 3 eV obtained using finite-temperature den…

cond-mat.mtrl-sci2024★ 13 cited

Shock-driven amorphization and melt in FeO

Céline Crépisson, Alexis Amouretti, Marion Harmand +28

We present measurements on FeO amorphization and melt under laser-driven shock compression up to 209(10) GPa via time-resolved in situ x-ray diffraction. At 122(3) GPa, a d…

cond-mat.mtrl-sci2024★ 6 cited

Phase transitions of FeO under laser shock compression

A. Amouretti, C. Crépisson, S. Azadi +22

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 c…

cond-mat.mtrl-sci2024

Resonant inelastic x-ray scattering in warm-dense Fe compounds beyond the SASE FEL resolution limit

Alessandro Forte, Thomas Gawne, Karim K. Alaa El-Din +19

Resonant inelastic x-ray scattering (RIXS) is a widely used spectroscopic technique, providing access to the electronic structure and dynamics of atoms, molecules, and solids. Howe…

cond-mat.mtrl-sci2022★ 7 cited

A Rate Model of Electron Populations for Non-linear High-Fluence X-ray Absorption Near-Edge Spectra

Robin Y. Engel, Markus Scholz, Jan O. Schunck +1

Absorbing a focused, femtosecond X-ray pulse from a Free-Electron Laser (FEL) can lead to extreme electronic excitations in solids. This excitation drives changes of the electronic…

cond-mat.mtrl-sci2022★ 7 cited

Electron Dynamics at High-Energy Densities in Nickel from Non-linear Resonant X-ray Absorption Spectra

Robin Y. Engel, Oliver Alexander, Kaan Atak +40

The pulse intensity from X-ray free-electron lasers (FELs) can create extreme excitation densities in solids, entering the regime of non-linear X-ray-matter interactions. We show L…