89 citations · 598 across the 22 of their papers we have counts for
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LDA+DMFT approach to ordering phenomena and the structural stability of correlated materials
J. Kunes, I. Leonov, P. Augustinsky +3
Materials with correlated electrons often respond very strongly to external or internal influences, leading to instabilities and states of matter with broken symmetry. This behavio…
Doping Induced Spin State Transition in LaCoO3: Dynamical Mean-Field Study
P. Augustinsky, V. Krapek, J. Kunes
Hole and electron doped LaCoO3 is studied using dynamical mean-field theory. The one-particle spectra are analyzed and compared to the available experimental data, in particular th…
Spin state of negative charge-transfer material SrCoO3
J. Kuneš, V. Křápek, N. Parragh +3
We employ the combination of the density functional and the dynamical mean-field theory (LDA+DMFT) to investigate the electronic structure and magnetic properties of SrCoO3, monocr…
Disproportionation and Metallization at Low-Spin to High-Spin Transition in Multiorbital Mott Systems
Jan Kunes, Vlastimil Krapek
We study the thermally driven spin state transition in a two-orbital Hubbard model with crystal field splitting, which provides a minimal description of the physics of LaCoO3. We e…