Electronic Structure and Magnetism in ScCo2 with Cubic Laves Phase Structure.

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  • Electronic Structure and Magnetism in S
  • Electronic Structure and Magnetism in ScCo<sub><b>2</b></sub>with Cubic Laves Phase Structure

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Abstract

Ab initio band calculations for ScCo2 with cubic Laves phase structure are carried out as a function of lattice constant, by using the LMTO-ASA method based on the local spin-density-functional formalism. Magnetic energies are also obtained by means of the fixed spin-moment method as a function of total magnetic moment, as well as lattice constant. The critical field of the metamagnetic transition is obtained as 135 T and about 740 T at the observed and theoretical lattice constants.

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