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- W1986778764 abstract "Systematic trends in the magnetism of Co-Pt solid-state systems are explored by studying the effects of composition, electron correlations, spin-orbit coupling (SOC), and long-range order. Ab initio fully relativistic calculations were performed for bulk Co, a substitutional Pt impurity in Co, ${text{Co}}_{3}text{Pt}$, CoPt, ${text{CoPt}}_{3}$, and a substitutional Co impurity in Pt. Many-body effects beyond the local spin-density approximation (LSDA) were included via the dynamical mean-field theory (DMFT); a comparison with results based on the Brooks orbital-polarization (OP) scheme was also made. The disorder was treated within the coherent-potential approximation. We found that while the spin magnetic moments ${ensuremath{mu}}_{text{spin}}$ at the Co atoms monotonously increase with increasing Pt concentration, the orbital magnetic moments ${ensuremath{mu}}_{text{orb}}$ do not follow the trend of ${ensuremath{mu}}_{text{spin}}$. Magnetic moments ${ensuremath{mu}}_{text{spin}}$ and ${ensuremath{mu}}_{text{orb}}$ at Pt atoms do not depend on Pt concentration monotonously. Most of these trends can be understood in terms of hybridization and site-dependent SOC. The OP scheme of Brooks corrects the deficiencies of a pure LSDA only if the Pt concentration is low. The $text{LSDA}+text{DMFT}$ scheme provides ${ensuremath{mu}}_{text{orb}}/{ensuremath{mu}}_{text{spin}}$ ratios for Co atoms which agree with experiment even for high Pt content. Introducing disorder leads to an enhancement of ${ensuremath{mu}}_{text{spin}}$ at Co atoms and to a suppression of ${ensuremath{mu}}_{text{spin}}$ at Pt atoms. The ${ensuremath{mu}}_{text{orb}}$ at Co atoms does not exhibit any systematic dependence on the degree of order, while ${ensuremath{mu}}_{text{orb}}$ at Pt atoms decreases with increasing disorder for all Pt concentrations." @default.
- W1986778764 created "2016-06-24" @default.
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- W1986778764 date "2008-10-03" @default.
- W1986778764 modified "2023-10-18" @default.
- W1986778764 title "Influence of composition, many-body effects, spin-orbit coupling, and disorder on magnetism of Co-Pt solid-state systems" @default.
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- W1986778764 doi "https://doi.org/10.1103/physrevb.78.144403" @default.
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