310 citations · 2.1k across the 38 of their papers we have counts for
4 papers · 1 filter
Theoretical and experimental evidence of a site-selective Mott transition in Fe2O3 under pressure
E. Greenberg, I. Leonov, S. Layek +6
We provide experimental and theoretical evidence for a novel type of pressure-induced insulator-metal transition characterized by site-selective delocalization of the electrons. Mö…
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…
Pressure-induced spin-state transition of iron in magnesiowüstite (Fe,Mg)O
I. Leonov, A. Ponomareva, R. Nazarov +1
We present a detailed theoretical study of the electronic, magnetic, and structural properties of magnesiowüstite FeMgO with in the range between 00.875 using a…
Effect of electron correlations on the electronic structure and phase stability of FeSe upon lattice expansion
S. L. Skornyakov, V. I. Anisimov, D. Vollhardt +1
We present results of a detailed theoretical study of the electronic, magnetic, and structural properties of the chalcogenide parent system FeSe using a fully charge self-consisten…