Density functional theory study of the α−γ phase transition in cerium: Role of electron correlation and f-orbital localization
New paper on the phase transition in cerium published in Physical Review B 93, 075153 (2016)
Our new paper on "Density functional theory study of the α−γ phase transition in cerium: Role of electron correlation and f-orbital localization" just appeared in Physical Review B (http://journals.aps.org/prb/abstract/10.1103/PhysRevB.93.075153). We study the phase transition and the associated volume collapse in cerium with the random-phase approximation, an advanced density functional. Our results suggest that the phase transition should already occur at zero temperature, and therefore could be directly related to the hybridization between f states. The localization or delocalization of the f-states is an outcome of the calculations and is not require as an input.
Related news
EURO2022 conference to be hosted by Aalto University
Largest European conference in operations research and management science to be hosted in Otaniemi in July 2022
Win a trip to Berlin with ideas pitching competition
Falling Walls Lab Finland submission period closes soon, enter your research or business idea to be in a chance to compete in the international final
Matias Palva, Professor of Brain Signal Analytics, studies the mechanisms of the human mind and brain diseases
Understanding the brain mechanisms behind the diseases is important when developing targeted treatments