310 citations · 1.4k across the 36 of their papers we have counts for
36 papers
Ab initio guided minimal model for the "Kitaev" material BaCo(AsO): Importance of direct hopping, third-neighbor exchange and quantum fluctuations
Pavel A. Maksimov, Alexey V. Ushakov, Zlata V. Pchelkina +3
By considering two {\it ab initio}-based complementary approaches, we analyze the electronic structure and extract effective spin models of BaCo(AsO), a honeycomb mater…
Spin state crossover in Co3BO5
N. V. Kazak, M. S. Platunov, Yu. V. Knyazev +12
The magnetic contribution of the Co3+ ions in Co3BO5 has been investigated using the Co (K-edge) XMCD, dc magnetic susceptibility, and heat capacity measurements. The crystal struc…
Mechanism of ferromagnetic ordering of the Mn chains in CaMnGeO clinopyroxene
F. V. Temnikov, E. V. Komleva, Z. V. Pchelkina +1
The electronic and magnetic properties of clinopyroxene CaMnGeO were studied using density function calculations within the GGA+U approximation. It is shown that anomalous…
Electronic structure and magnetic properties of the strong-rung spin-1 ladder compound RbNi(NO)
Z. V. Pchelkina, V. V. Mazurenko, O. S. Volkova +7
Small single crystals of RbNi(NO) were obtained by crystallization from anhydrous nitric acid solution of rubidium nitrate and nickel nitrate hexahydrate. The basic…
Spectroscopic signatures of molecular orbitals on a honeycomb lattice
Z. V. Pchelkina, S. V. Streltsov, I. I. Mazin
A tendency to form benzene-like molecular orbitals has been recently shown to be a common feature of the and transition metal oxides with a honeycomb lattice. This tenden…
First principles investigation of exchange interactions in quasi-one-dimensional antiferromagnet CaV2O4
Z. V. Pchelkina, I. V. Solovyev
The effect of orbital degrees of freedom on the exchange interactions in the spin-1 quasi-one-dimensional antiferromagnet CaV2O4 is systematically studied. For this purpose a reali…