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Information × Registration Number 0215U007739, 0112U007569 , R & D reports Title Theoretical modeling of the electron structure and magnetic properties quasi-one-dimensional transition metal compounds carbon nanotubes popup.stage_title Head Cheranovskiy V, Registration Date 12-01-2016 Organization Kharkov National University named after V.N. Karazin popup.description2 The object of study: Manyelectron strongly correlated lattice models such as Hubbard and Heisenberg models suitable for an adequate description of the low-energy states of the quantum Hamiltonians of nanostructured materials.Purpose is to develop new methods of modeling features of magnetic and electrical characteristics of frustrated quasi-models of nanostructured magnetic materials based on transition metal compounds.In particular, the effective spin models, adequately describing the low-temperature magnetic properties of complex compounds (N-Me-2,6-di-Me-Py) (TCNQ)2 and [Mn (phen)3] (TCNQ)2 o H2O - new quasi-magnets, were proposed in this work. In order to study the effect of acceptor impurities on the magnetic states of frustrated magnets, we analyzed the exact energy spectrum of the Hubbard model with infinite repulsion on the deformed diamond and quasi-diamond chains.Using the developed method in previous studies cue-CCSD calculated second hyper-polarizability of some large ?-conjugated oligomers. A new approach to the calculation of the potential energy surface in the framework of the coupled cluster was proposed. Temperature and field behavior of the velocity and absorption of sound waves in magnetic frustrated systems in the spin ice Dy2Ti2O7 and Ho2Tі2O7 were calculated. A new scenario of the appearance of Majorana edge states of topological superconductors with strong spin-orbit interaction in external magnetic field was proposed. Product Description popup.authors Іванов В. В'юник В. Вітушкіна С. Захаров А. Звягін А. Кравченко О. Кузнецова Т Лукащук Т. Токарев В. Черановський В. popup.nrat_date 2020-04-02 Close