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Kibble-Zurek dynamics beyond the thermodynamic limit
Max Haas, Guy C. Moore, Isaac M. Craig +6
The Kibble-Zurek mechanism (KZM) predicts the universal scaling of topological defect densities generated during continuous phase transitions, a result derived in the thermodynamic…
SpinPSO: An agent-based optimization workflow for identifying global noncollinear magnetic ground-states from first-principles
Guy C. Moore, Matthew K. Horton, Kristin A. Persson
We propose and implement a novel hybrid meta-heuristic optimization algorithm for the identification of non-collinear global ground-states in magnetic systems. The inputs to this o…
Realistic non-collinear ground states of solids with source-free exchange correlation functional
Guy C. Moore, Matthew K. Horton, Aaron D. Kaplan +2
In this work, we extend the source-free (SF) exchange correlation (XC) functional developed by Sangeeta Sharma and co-workers to plane-wave density functional theory (DFT) based on…
Magnetism and magnetocaloric properties of CoMnCrO
Joya A. Cooley, Gregor Dairaghi, Guy C. Moore +4
CoMnCrO crystallizes as a normal spinel in the cubic space group, and the end members have been reported to display a region of collinear fer…