In the present work, the DFT+DMFT approach, combining density functional theory with dynamical mean-field theory, was applied to study the electronic and magnetic properties of LiNiO2. In the result, an insulating solution with a small energy gap value was obtained in agreement with experimental ...
In this work, we present a systematic study of the occupied and unoccupied electronic states of LaCoO3 compound using DFT, DFT+ U and DFT+embedded DMFT methods. The value of Uused here is evaluated...doi:10.1140/epjb/e2018-90116-7Dutta Paromita...