26 citations · 45 across the 6 of their papers we have counts for
6 papers
Magnetic inhomogeneity in the copper pseudochalcogenide CuNCN
A. Zorko, P. Jeglič, M. Pregelj +4
Copper carbodiimide, CuNCN, is a geometrically frustrated nitrogen-based analogue of cupric oxide, whose magnetism remains ambiguous. Here, we employ a combination of local-probe t…
Effective Hamiltonian Crystal Field for Magnetic Interactions in Polynuclear Transition Metal Complexes. Sequential Derivation and Exemplary Numerical Estimates
Andrei L. Tchougréeff
By this we extend our work of the year 1992 devoted to calculating the intrashell excitations in the d-shells of coordination compounds of the first transition metal row, which res…
Exchange Parameters in the TCNE-based Magnets as Estimated with use of the Effective Hamiltonian Crystal Field Method
A. L. Tchougréeff
Estimates of the exchange interaction parameter (J) between electronic magnetic momenta residing in the d-shells of several divalent first row transition metal ions, and those resi…
Unconventional Magnetism in a Nitrogen-Based Analogue of Cupric Oxide
A. Zorko, P. Jeglič, A. Potočnik +6
We have investigated the magnetic properties of CuNCN, the first nitrogen-based analogue of cupric oxide, CuO. Our muon spin relaxation, nuclear magnetic resonance and electron spi…
Modeling molecular crystals formed by spin-active metal complexes by atom-atom potentials
Anton V. Sinitskiy, Andrei L. Tchougréeff, Andrei M. Tokmachev +1
We apply the atom-atom potentials to molecular crystals of iron (II) complexes with bulky organic ligands. The crystals under study are formed by low-spin or high-spin molecules of…
Classes of admissible exchange-correlation density functionals for pure spin and angular momentum states
A. L. Tchougréeff, J. G. Ángyán
We analyze the various approaches to construct exchange-correlation functionals which are able to describe states of definite spin multiplicity in the DFT realm and outline the cha…