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Showing 2026 · cond-mat.mtrl-sciShow all
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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
Unlocking the Power of Orbital-Free Density Functional Theory to Explore the Electronic Structure Under Extreme Conditions
Cheng Ma, Qiang Xu, Zhenhao Zhang +8
Recent advances in X-ray free-electron laser diagnostics have enabled direct probing of the electronic structure under extreme pressures and temperatures, such as those encountered…
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…