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- W2074928141 abstract "We report first-principles density-functional calculations of the electronic structure of ${mathrm{YFe}}_{2}$ and ${mathrm{YFe}}_{2}{mathrm{H}}_{4}.$ The electronic structure is strongly affected both by band narrowing associated with the lattice expansion upon hydriding and the changes in band filling and covalency with H, but the observed increase in magnetization upon hydrogen uptake is almost entirely due to lattice expansion." @default.
- W2074928141 created "2016-06-24" @default.
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- W2074928141 date "2004-04-05" @default.
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- W2074928141 title "Role of H in the magnetism and electronic structure of<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>YFe</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>H</mml:mi></mml:mrow><mml:mrow><mml:mn>4</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>" @default.
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- W2074928141 doi "https://doi.org/10.1103/physrevb.69.132403" @default.
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