Chemical ordering and magnetism in face-centered cubic CrCoNi alloy
| dc.contributor.author | Ghosh, Sheuly | |
| dc.contributor.author | Ueltzen, Katharina | |
| dc.contributor.author | George, Janine | |
| dc.contributor.author | Neugebauer, Jörg | |
| dc.contributor.author | Körmann, Fritz | |
| dc.date.accessioned | 2025-07-25T13:18:59Z | |
| dc.date.issued | 2024 | |
| dc.date.updated | 2025-01-27T19:57:11Z | |
| dc.description.abstract | The impact of magnetism on chemical ordering in face-centered cubic CrCoNi medium entropy alloy is studied by a combination of ab initio simulations, machine learning potentials, and Monte Carlo simulations. Large magnetic energies are revealed for some mixed L12/L10 type ordered configurations, which are rooted in strong nearest-neighbor magnetic exchange interactions and chemical bonding among the constituent elements. There is a delicate interplay between magnetism and stability of MoPt2 and L12/L10 type of order, which may explain opposing experimental and theoretical findings. | en |
| dc.description.sponsorship | Deutsche Forschungsgemeinschaft | |
| dc.description.sponsorship | Gauss Centre for Super computing e.V. | |
| dc.identifier.issn | 2057-3960 | |
| dc.identifier.other | 1932459073 | |
| dc.identifier.uri | http://nbn-resolving.de/urn:nbn:de:bsz:93-opus-ds-168980 | de |
| dc.identifier.uri | https://elib.uni-stuttgart.de/handle/11682/16898 | |
| dc.identifier.uri | https://doi.org/10.18419/opus-16879 | |
| dc.language.iso | en | |
| dc.relation.uri | doi:10.1038/s41524-024-01439-8 | |
| dc.rights | CC BY | |
| dc.rights | info:eu-repo/semantics/openAccess | |
| dc.rights.uri | https://creativecommons.org/licenses/by/4.0/ | |
| dc.subject.ddc | 660 | |
| dc.title | Chemical ordering and magnetism in face-centered cubic CrCoNi alloy | en |
| dc.type | article | |
| ubs.fakultaet | Chemie | |
| ubs.fakultaet | Fakultätsübergreifend / Sonstige Einrichtung | |
| ubs.institut | Institut für Materialwissenschaft | |
| ubs.institut | Fakultätsübergreifend / Sonstige Einrichtung | |
| ubs.publikation.seiten | 10 | |
| ubs.publikation.source | npj computational materials 10 (2024), No. 284 | |
| ubs.publikation.typ | Zeitschriftenartikel |