78 citations · 78 across the 1 of their papers we have counts for
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Optical evidence for symmetry changes above the Neel temperature in KCuF3
J. Deisenhofer, I. Leonov, M. V. Eremin +6
We report on optical measurements of the 1D Heisenberg antiferromagnet KCuF3. The crystal-field excitations of the Cu2+ ions have been observed and their temperature dependence can…
Structural relaxation due to electronic correlations in the paramagnetic insulator KCuF3
I. Leonov, N. Binggeli, Dm. Korotin +3
A computational scheme for the investigation of complex materials with strongly interacting electrons is formulated which is able to treat atomic displacements, and hence structura…
Electronic structure of charge-ordered Fe3O4 from calculated optical, megneto-optical Kerr effect, and O K-edge x-ray absorption spectra
I. Leonov, A. N. Yaresko, V. N. Antonov +1
The electronic structure of the low-temperature (LT) monoclinic magnetite, Fe3O4, is investigated using the local spin density approximation (LSDA) and the LSDA+U method. The self-…
LDA+DMFT computation of the electronic spectrum of NiO
X. Ren, I. Leonov, G. Keller +3
The electronic spectrum, energy gap and local magnetic moment of paramagnetic NiO are computed by using the local density approximation plus dynamical mean-field theory (LDA+DMFT).…
Charge order and spin-singlet pairs formation in Ti4O7
I. Leonov, A. N. Yaresko, V. N. Antonov +3
Charge ordering in the low-temperature triclinic structure of titanium oxide (Ti4O7) is investigated using the local density approximation (LDA)+U method. Although the total 3d cha…
Full orbital calculation scheme for materials with strongly correlated electrons
V. I. Anisimov, D. E. Kondakov, A. V. Kozhevnikov +12
We propose a computational scheme for the ab initio calculation of Wannier functions (WFs) for correlated electronic materials. The full-orbital Hamiltonian H is projected into the…