Comprendre la dualité supraconductivité et magnétisme dans des stannures binaires à base des éléments terres rares.
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Date
2018-04-19
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Abstract
A theoretical study of structural, magnetic, electronic proprieties of RESn3 (RE= Rarre Earth element) intermetallic compounds have been investigated using first principles density functional theory. The generalized gradient approximation+U formalism has been used to account for the strong on-site Coulomb repulsion among the localized RE 4f electrons. The spin orbit interaction has also considered in this work. GGA+U+SOC calculation gives the ground state properties of both structures (orthorhombic, cubic) such as magnetic phase stability, lattice constant a0 and magnetic moment, which are in good agreement with the experimental data. The calculated electronic structure, like band structures and Fermi surfaces of the nonmagnetic intermetallic compounds enabled us to classify them into two categories: compensated and uncompensated metals.
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Doctorat en Sciences
