The series PrCo5-xNix (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.
|Number of pages||4|
|Journal||Journal of Siberian Federal University - Mathematics and Physics|
|Publication status||Published - 2017|
- Electronic structure
- Spin transition
- Strong correlations