Showing 1 - 2 of 2 UKAEA Paper Results
2015
CCFE-PR(15)120
C. C. Fu M. Y. Lavrentiev R. Soulairol S. L. Dudarev D. Nguyen-Manh
Low-energy magnetic states and finite-temperature properties of Cr nanoclusters in bulk bcc Fe and Fe nanoclusters in bulk Cr are investigated using density functional theory (DFT) and the Heisenberg-Landau Hamiltonian based magnetic cluster expansion (MCE). We show, by means of noncollinear magnetic DFT calculations, that magnetic frustration caus…
Preprint Published2011
M. Yu. Lavrentiev R. Soulairol Chu-Chun Fu D. Nguyen-Manh S. L. Dudarev
Noncollinear configurations of local magnetic moments at Fe/Cr interfaces in Fe-Cr alloys are explored using a combination of density functional theory (DFT) and magnetic cluster expansion (MCE) simulations. We show that magnetic frustration at Fe/Cr interfaces can be partially resolved through the formation of noncollinear magnetic structures, whi…
Published