activity
20042022
most citedFull orbital calculation scheme for materials with strongly correlated electrons

310 citations · 2.1k across the 38 of their papers we have counts for

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Showing 2005Show all

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cond-mat.str-el2005★ 49 cited

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…

cond-mat.str-el2005★ 28 cited

Charge order in Fe2OBO3: An LSDA+U study

I. Leonov, A. N. Yaresko, V. N. Antonov +2

Charge ordering in the low-temperature monoclinic structure of iron oxoborate (Fe2OBO3) is investigated using the local spin density approximation (LSDA)+U method. While the differ…