76 citations · 239 across the 4 of their papers we have counts for
4 papers
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…
Determination of the orbital moment and crystal field splitting in LaTiO
M. W. Haverkort, Z. Hu, A. Tanaka +18
Utilizing a sum-rule in a spin-resolved photoelectron spectroscopic experiment with circularly polarized light, we show that the orbital moment in LaTiO is strongly reduced bot…
First principle computation of stripes in cuprates
V. I. Anisimov, M. A. Korotin, A. S. Mylnikova +2
We present a first principle computation of vertical stripes in within the LDA+U method. We find that Cu centered stripes are unstable toward O centered st…