101 citations · 177 across the 6 of their papers we have counts for
6 papers
Persistent anisotropy of the spin cycloid in BiFeO3 through ferroelectric switching
Peter Meisenheimer, Guy Moore, Shiyu Zhou +10
A key challenge in antiferromagnetic spintronics is the control of spin configuration on nanometer scales applicable to solid-state technologies. Bismuth ferrite (BiFeO3) is a mult…
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…
Crystal Toolkit: A Web App Framework to Improve Usability and Accessibility of Materials Science Research Algorithms
Matthew Horton, Jimmy-Xuan Shen, Jordan Burns +21
Crystal Toolkit is an open source tool for viewing, analyzing and transforming crystal structures, molecules and other common forms of materials science data in an interactive way.…
High-throughput determination of Hubbard U and Hund J values for transition metal oxides via linear response formalism
Guy C. Moore, Matthew K. Horton, Alexander M. Ganose +4
DFT+U provides a convenient, cost-effective correction for the self-interaction error (SIE) that arises when describing correlated electronic states using conventional approximate…