Institute of Physics of Materials AS CR, v. v. i. > Projects > Ab initio theory of magnetic semiconductors

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Ab initio theory of magnetic semiconductors

Anotace

The project is aimed at a deep understanding of electronic, magnetic, and temperature-dependent properties of a broad class of magnetic semiconductors. The state-of-the art first-principles density functional method will be used to determine the ground state properties of magnetic semiconductors. The total energy calculations will be then used to determine microscopically the parameters of the effective classical Heisenberg Hamiltonian which will serve as a basis for the theory of phase transitions and low-energy excitations in studied materials. The emphasis will be put on a proper inclusion of the effect of disorder and doping as well as electron correlations. We propose to study on the same footing two different clases of magnetic semiconductors, namely, diluted magnetic semiconductors (AIIIBV and group-IV) and rare-earth-based magnetic semiconductors.