20 citations · 37 across the 10 of their papers we have counts for
4 papers · 1 filter
Weak non-Landau-type contributions to the diamagnetism of graphite
A. V. Nikolaev, A. V. Bibikov, M. Ye. Zhuravlev +1
The exceptionally large diamagnetic susceptibility of a single-crystal graphite in the direction perpendicular to the graphene layers is caused by the Landau levels. However, there…
Reply to Comment on "Multiple locations of boron atoms in the exohedral and endohedral C60 fullerene" by J. Xu and G.-L. Hou
A. V. Bibikov, A. V. Nikolaev, I. V. Bodrenko +2
In three out of five cases considered in our work, DFT calculations presented by Xu and Hou in their Comment give the same ground state confirmations. On the other hand, depending…
Ab initio based description of the unusual temperature increase of the electric field gradient at Ti sites in rutile TiO2
A. V. Nikolaev, N. M. Chtchelkatchev, A. V. Bibikov +2
Combining a precise ab initio electron band structure calculation of the TiO2 rutile structure with the temperature evolution of the Ti mean-square displacements, we reproduce a pu…
Peculiar chemical bonding between thorium and a carbon hexagon in carbon nanomaterials
A. V. Bibikov, A. V. Nikolaev, E. V. Tkalya
We explore an unusual nature of chemical bonding of the thorium atom with a ring of six carbon atoms (hexagon) in novel carbon materials. Our ab initio calculations of Th-based met…