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• W1981344246 abstract "Electronic and magnetic properties of bulk and close-packed surfaces of the intermetallic compound ${mathrm{MnPt}}_{3}$ have been investigated by means of the exact muffin-tin orbital method. The present ab initio bulk parameters compare well with the available experimental data. Theoretical ground state of the bulk ${mathrm{MnPt}}_{3}$ is ferromagnetic, in perfect agreement with the observation. Ferromagnetic configuration is found to be stable on the $(111)$ free surface, while on the $(100)$ surface an antiferromagnetic state is obtained. Top layer relaxation of the $(100)$ surface is shown to have no influence on the antiferromagnetic ground state. Total energy differences between ferro- and antiferromagnetic structures on the surfaces are significantly smaller than in the bulk, which may have implications concerning the Kerr effect of ${mathrm{MnPt}}_{3}$. Using the linear muffin-tin orbital method we identify prominent structures in the density of states of the surface layers." @default.
• W1981344246 created "2016-06-24" @default.
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• W1981344246 date "2004-07-19" @default.
• W1981344246 modified "2023-10-18" @default.
• W1981344246 title "Electronic and magnetic properties of bulk and<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:mo>(</mml:mo><mml:mn>100</mml:mn><mml:mo>)</mml:mo></mml:mrow></mml:math>and<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:mo>(</mml:mo><mml:mn>111</mml:mn><mml:mo>)</mml:mo></mml:mrow></mml:math>surfaces of<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mi …" @default.
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• W1981344246 doi "https://doi.org/10.1103/physrevb.70.024411" @default.
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