dc.contributor.author | Skelland, C | |
dc.contributor.author | Ostler, T | |
dc.contributor.author | Westland, S | |
dc.contributor.author | Evans, R | |
dc.contributor.author | Chantrell, R | |
dc.contributor.author | Yano, M | |
dc.contributor.author | Shoji, T | |
dc.contributor.author | Manabe, A | |
dc.contributor.author | Kato, A | |
dc.contributor.author | Winklhofer, M | |
dc.contributor.author | Zimanyi, G | |
dc.contributor.author | Fischbacher, J | |
dc.contributor.author | Schrefl, T | |
dc.contributor.author | Hrkac, G | |
dc.date.accessioned | 2019-06-28T13:38:08Z | |
dc.date.issued | 2018-06-19 | |
dc.description.abstract | We investigated the atomic fill site probability distributions across supercell structures of RT12-xTi (R=Nd, Sm, T=Fe, Co). We use a combined molecular dynamics and Boltzmann distribution approach to extrapolate the probability distributions for Ti substitution from lower to higher temperatures with an equilibrium condition to assess how temperature affects the predictability of the structures fill path. It was found that the Nd and Sm based Fe systems have the highest filling probability path at lower temperatures but the cohesive energy change due to Ti substitution in Sm and Nd based crystals indicates that a more stable system could be achieved with a combination Co and Fe in the transition metal site. | en_GB |
dc.description.sponsorship | Engineering and Physical Sciences Research Council (EPSRC) | en_GB |
dc.description.sponsorship | Vienna Science and Technology Fund | en_GB |
dc.description.sponsorship | Royal Society | en_GB |
dc.description.sponsorship | Toyota Motor Corporation | en_GB |
dc.identifier.citation | Vol. 54 (11), article 2103405 | en_GB |
dc.identifier.grantnumber | EP/M015173/1 | en_GB |
dc.identifier.grantnumber | EP/L019876/1 | en_GB |
dc.identifier.grantnumber | MA14-44 | en_GB |
dc.identifier.grantnumber | UF080837 | en_GB |
dc.identifier.uri | http://hdl.handle.net/10871/37740 | |
dc.language.iso | en | en_GB |
dc.publisher | Institute of Electrical and Electronics Engineers (IEEE) | en_GB |
dc.rights | © 2018 IEEE. Personal use is permitted, but republication/redistribution requires IEEE permission. | en_GB |
dc.subject | Titanium | en_GB |
dc.subject | Iron | en_GB |
dc.subject | Temperature | en_GB |
dc.subject | Perpendicular magnetic anisotropy | en_GB |
dc.subject | Probability distribution | en_GB |
dc.subject | Magnetic properties | en_GB |
dc.title | Probability distribution of substituted Titanium in RT12 (R = Nd, Sm, T = Fe, Co) structures | en_GB |
dc.type | Article | en_GB |
dc.date.available | 2019-06-28T13:38:08Z | |
dc.identifier.issn | 0018-9464 | |
dc.description | This is the author accepted manuscript. The final version is available from IEEE via the DOI in this record | en_GB |
dc.identifier.journal | IEEE Transactions on Magnetics | en_GB |
dc.rights.uri | http://www.rioxx.net/licenses/all-rights-reserved | en_GB |
dcterms.dateAccepted | 2018-04-23 | |
rioxxterms.version | AM | en_GB |
rioxxterms.licenseref.startdate | 2018-04-23 | |
rioxxterms.type | Journal Article/Review | en_GB |
refterms.dateFCD | 2019-06-28T13:33:31Z | |
refterms.versionFCD | AM | |
refterms.dateFOA | 2019-06-28T13:38:16Z | |
refterms.panel | B | en_GB |