activity
20032005
most citedAb initio Simulations of Fe-based Ferric Wheels

4 citations · 6 across the 5 of their papers we have counts for

collaborators

5 papers

cond-mat.mtrl-sci2005

Magnetic interactions in Cu-containing heterospin polymer

A. V. Postnikov, A. V. Galakhov, S. Bluegel

The electronic structure of Cu hexafluoroacetylacetonate, crystallized with a stable nitronyl nitroxide radical [Ovcharenko et al., Russ. Chem. Bull. 53, 2406 (2004)], is calculate…

cond-mat.mtrl-sci20041 cited

Exchange parameters in Fe-based molecular magnets

A. V. Postnikov, G. Bihlmayer, S. Bluegel

The calculation of interatomic magnetic exchange interactions entering the Heisenberg model from the standpoint of the density functional theory (DFT) is outlined for two Fe-based…

cond-mat.mtrl-sci2004

Isolated modes and percolation in lattice dynamics of (Be,Zn)Se

A. V. Postnikov, O. Pages, T. Tite +2

A mixed II-VI semiconductor Zn[1-x]Be[x]Se possesses non-trivial vibration properties, because its two constituent compounds, ZnSe and BeSe, show very different degree of covalency…

cond-mat.mtrl-sci20041 cited

Exchange interactions and magnetic anisotropy in the "Ni_4" magnetic molecule

A. V. Postnikov, M. Brueger, J. Schnack

Magnetic properties of a tetrahedral "Ni_4" molecule are discussed in terms of the Heisenberg model, with magnetic anisotropy terms included, and on the basis of first-principle ca…

cond-mat.mtrl-sci20034 cited

Ab initio Simulations of Fe-based Ferric Wheels

A. V. Postnikov, Jens Kortus, Stefan Bluegel

Based on first-principles density-functional theory calculations we investigate the electronic structure of hexanuclear "ferric wheels" M Fe_6[N(CH_2 CH_2 O)_3]_6 Cl (M = Li, Na) i…