Matches in SemOpenAlex for { <https://semopenalex.org/work/W4384263479> ?p ?o ?g. }
Showing items 1 to 63 of
63
with 100 items per page.
- W4384263479 abstract "Fe-Co alloys with induced tetragonal strain are promising materials for rare-earth-free permanent magnets. However, as ultrathin-film studies have shown, tetragonal Fe-Co structures tend to a rapid relaxation toward a cubic structure as the thickness of the deposited film increases. One of the main methods of inducing the stable strain in the bulk material is interstitial doping with small atoms, like B, C, or N. In this work, we present a full configuration space analysis in density functional theory approach for (Fe$_{1-x}$Co$_x$)$_{16}$C supercells with a single C impurity in one of the octahedral interstitial positions and for the full range of Co concentrations $x$. We discuss all assumptions and considerations leading to calculated lattice parameters, mixing enthalpies, magnetic moments, and averaged magnetocrystalline anisotropy energies (MAE). We present a comprehensive qualitative analysis of the structural and magnetic properties' dependence on short- and long-range ordering parameters. We analyzed all unique Fe/Co atoms occupancies at all stoichiometric concentrations possible in 2x2x2 supercell based on 2-atom tetragonal representation. We rely on the thermodynamic averaging method and large sample count to obtain accurate MAE values. We reevaluate several chemical disorder approximation methods, including effective medium methods (virtual crystal approximation and coherent potential approximation) and special quasirandom structures method applied to Fe-Co-based alloys. We observe a structural phase transition from the body-centered tetragonal structure above 70% Co concentration and confirm the structural stability of Fe-Co-C alloys in the tetragonal range. We show the presence of a broad MAE maximum of around 50% Co concentration and notably high MAE values for Co content $x$ as low as 25%. In addition, we show a positive correlation between MAE and mixing enthalpy." @default.
- W4384263479 created "2023-07-14" @default.
- W4384263479 creator A5045046701 @default.
- W4384263479 creator A5076481271 @default.
- W4384263479 date "2023-07-11" @default.
- W4384263479 modified "2023-10-17" @default.
- W4384263479 title "Structural and magnetic properties of Fe-Co-C alloys with tetragonal deformation: a first-principle study" @default.
- W4384263479 doi "https://doi.org/10.48550/arxiv.2307.05709" @default.
- W4384263479 hasPublicationYear "2023" @default.
- W4384263479 type Work @default.
- W4384263479 citedByCount "0" @default.
- W4384263479 crossrefType "posted-content" @default.
- W4384263479 hasAuthorship W4384263479A5045046701 @default.
- W4384263479 hasAuthorship W4384263479A5076481271 @default.
- W4384263479 hasBestOaLocation W43842634791 @default.
- W4384263479 hasConcept C115260700 @default.
- W4384263479 hasConcept C115624301 @default.
- W4384263479 hasConcept C121332964 @default.
- W4384263479 hasConcept C136498428 @default.
- W4384263479 hasConcept C153294291 @default.
- W4384263479 hasConcept C170751736 @default.
- W4384263479 hasConcept C185592680 @default.
- W4384263479 hasConcept C192562407 @default.
- W4384263479 hasConcept C26873012 @default.
- W4384263479 hasConcept C32546565 @default.
- W4384263479 hasConcept C32938098 @default.
- W4384263479 hasConcept C56803174 @default.
- W4384263479 hasConcept C62520636 @default.
- W4384263479 hasConcept C8010536 @default.
- W4384263479 hasConcept C80316258 @default.
- W4384263479 hasConcept C97355855 @default.
- W4384263479 hasConceptScore W4384263479C115260700 @default.
- W4384263479 hasConceptScore W4384263479C115624301 @default.
- W4384263479 hasConceptScore W4384263479C121332964 @default.
- W4384263479 hasConceptScore W4384263479C136498428 @default.
- W4384263479 hasConceptScore W4384263479C153294291 @default.
- W4384263479 hasConceptScore W4384263479C170751736 @default.
- W4384263479 hasConceptScore W4384263479C185592680 @default.
- W4384263479 hasConceptScore W4384263479C192562407 @default.
- W4384263479 hasConceptScore W4384263479C26873012 @default.
- W4384263479 hasConceptScore W4384263479C32546565 @default.
- W4384263479 hasConceptScore W4384263479C32938098 @default.
- W4384263479 hasConceptScore W4384263479C56803174 @default.
- W4384263479 hasConceptScore W4384263479C62520636 @default.
- W4384263479 hasConceptScore W4384263479C8010536 @default.
- W4384263479 hasConceptScore W4384263479C80316258 @default.
- W4384263479 hasConceptScore W4384263479C97355855 @default.
- W4384263479 hasLocation W43842634791 @default.
- W4384263479 hasOpenAccess W4384263479 @default.
- W4384263479 hasPrimaryLocation W43842634791 @default.
- W4384263479 hasRelatedWork W1608719999 @default.
- W4384263479 hasRelatedWork W1968584980 @default.
- W4384263479 hasRelatedWork W1976428952 @default.
- W4384263479 hasRelatedWork W1989851337 @default.
- W4384263479 hasRelatedWork W201313630 @default.
- W4384263479 hasRelatedWork W2038212391 @default.
- W4384263479 hasRelatedWork W2051939878 @default.
- W4384263479 hasRelatedWork W2052901368 @default.
- W4384263479 hasRelatedWork W2092211870 @default.
- W4384263479 hasRelatedWork W3159491206 @default.
- W4384263479 isParatext "false" @default.
- W4384263479 isRetracted "false" @default.
- W4384263479 workType "article" @default.