398 citations · 955 across the 10 of their papers we have counts for
5 papers · 1 filter
Orbital-assisted metal-insulator transition in VO
M. W. Haverkort, Z. Hu, A. Tanaka +9
We found direct experimental evidence for an orbital switching in the V 3d states across the metal-insulator transition in VO. We have used soft-x-ray absorption spectroscopy…
Momentum-resolved spectral functions of SrVO calculated by LDA+DMFT
I. A. Nekrasov, K. Held, G. Keller +6
LDA+DMFT, the merger of density functional theory in the local density approximation and dynamical mean-field theory, has been mostly employed to calculate k-integrated spectra acc…
Crystal-field splitting for low symmetry systems in ab initio calculations
S. V. Streltsov, A. S. Mylnikova, A. O. Shorikov +3
In the framework of the LDA+U approximation we propose the direct way of calculation of crystal-field excitation energy and apply it to La and Y titanates. The method developed can…
The role of transition metal impurities and oxygen vacancies in the formation of ferromagnetism in Co-doped TiO2
V. I. Anisimov, M. A. Korotin, I. A. Nekrasov +4
We have investigated the role of transition metal impurities and oxygen vacancies in the formation of ferromagnetism in Co-doped TiO2 using LSDA+U approach which takes into account…
Magnetic state of plutonium ion in metallic Pu and its compounds
A. O. Shorikov, A. V. Lukoyanov, M. A. Korotin +1
By LDA+U method with spin-orbit coupling (LDA+U+SO) the magnetic state and electronic structure have been investigated for plutonium in δand αphases and for Pu compounds: PuN, PuCo…