Geodesic
Ab initio investigation of the spin-reorientation phase transition in PrCo$_{5-x}$Ni$_x$ ($x = 0$--$5$)
Žurnal Sibirskogo federalʹnogo universiteta. Matematika i fizika, Tome 10 (2017) no. 1, pp. 51-54

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The series PrCo$_{5-x}$Ni$_x$ ($x = 0$–$5$) was investigated within the LDA+U+SO method taking into account strong correlations and spin-orbit coupling in Pr-4f, as well as in Ni(Co)-3d states. We give a detailed description of total energies, electronic structure and magnetic moments directions and values for all ions and concentrations considered. It was obtained that the system pass through a continuous spin transition from planar ab to the c axis directions of the Pr ion in agreement with experiments.
Keywords: strong correlations, spin transition, electronic structure.
Mots-clés : LDA+U+SO 
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     author = {Alexey V. Lukoyanov},
     title = {Ab initio investigation of the spin-reorientation phase transition in {PrCo}$_{5-x}${Ni}$_x$ ($x = 0$--$5$)},
     journal = {\v{Z}urnal Sibirskogo federalʹnogo universiteta. Matematika i fizika},
     pages = {51--54},
     publisher = {mathdoc},
     volume = {10},
     number = {1},
     year = {2017},
     language = {en},
     url = {http://geodesic.mathdoc.fr/item/JSFU_2017_10_1_a6/}
}
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Alexey V. Lukoyanov. Ab initio investigation of the spin-reorientation phase transition in PrCo$_{5-x}$Ni$_x$ ($x = 0$--$5$). Žurnal Sibirskogo federalʹnogo universiteta. Matematika i fizika, Tome 10 (2017) no. 1, pp. 51-54. http://geodesic.mathdoc.fr/item/JSFU_2017_10_1_a6/