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- W3014884989 abstract "We present a data set of calculated Curie temperatures for the main-phase compounds of rare-earth permanent magnets. We employ ab initio electronic structure calculations for itinerant ferromagnetism and an effective spin model for finite-temperature magnetism. Curie temperatures are derived on the basis of a classical Heisenberg model mapped via Liechtenstein's formula for atomic pairwise exchange couplings. Relative trends with respect to the species of rare-earth elements in calculated Curie temperatures for ${R}_{2}{mathrm{Fe}}_{14}mathrm{B}$ are in agreement with experimental trends. A quantitative comparison between calculation and experimental data found in the literature points to an effective range of exchange couplings imposing a limit on the validity range of the effective spin model." @default.
- W3014884989 created "2020-04-10" @default.
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- W3014884989 date "2020-04-02" @default.
- W3014884989 modified "2023-09-30" @default.
- W3014884989 title "Calculating Curie temperatures for rare-earth permanent magnets: <i>Ab initio</i> inspection of localized magnetic moments in <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:mi>d</mml:mi></mml:math> -electron ferromagnetism" @default.
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- W3014884989 doi "https://doi.org/10.1103/physrevb.101.144402" @default.
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