Accuracy of density functional theory methods for the calculation of magnetic exchange couplings in binuclear iron(III) complexes
Sign Up to like & getrecommendations! Published in 2020 at "Polyhedron"
DOI: 10.1016/j.poly.2019.114194
Abstract: Abstract We assess the performance of popular hybrid density functional approximations for the prediction of magnetic exchange couplings ( J ) in Fe III complexes. To this end, eleven dinuclear oxo-bridged iron(III) complexes with accurately… read more here.
Keywords: density functional; exchange couplings; magnetic exchange; iii complexes ... See more keywords
Monte Carlo study of a ferrimagnetic mixed-spin (2, 5/2) system with the nearest and next-nearest neighbors exchange couplings
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DOI: 10.1016/j.spmi.2017.04.004
Abstract: Abstract In this paper, the effects of the next-nearest neighbors exchange couplings on the magnetic and thermal properties of the ferrimagnetic mixed-spin (2, 5/2) Ising model on a 3D honeycomb lattice have been investigated by… read more here.
Keywords: neighbors exchange; nearest neighbors; exchange couplings; next nearest ... See more keywords
Large off-diagonal exchange couplings and spin liquid states in C3 -symmetric iridates
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DOI: 10.1103/physrevb.100.144422
Abstract: Iridate oxides on a honeycomb lattice are considered promising candidates for realization of quantum spin liquid states. We investigate the magnetic couplings in a structural model for a honeycomb iridate ${\mathrm{K}}_{2}{\mathrm{IrO}}_{3}$, with ${C}_{3}$ point-group symmetry… read more here.
Keywords: spin liquid; exchange couplings; mathrm; large diagonal ... See more keywords
Modulating superexchange strength to achieve robust ferromagnetic couplings in two-dimensional semiconductors
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DOI: 10.1103/physrevb.101.014431
Abstract: Low-dimensional semiconducting ferromagnets have attracted considerable attention due to their promising applications as nano-size spintronics. However, realizing robust ferromagnetic couplings that can survive at high temperature is restrained by two decisive factors: super-exchange couplings and… read more here.
Keywords: ferromagnetic couplings; robust ferromagnetic; exchange couplings; low dimensional ... See more keywords