294 citations · 1.4k across the 41 of their papers we have counts for
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Electronic structure, magnetism and exchange integrals in transition metal oxides: role of the spin polarization of the functional in DFT+ calculations
Samara Keshavarz, Johan Schött, Andrew J. Millis +1
Density functional theory augmented with Hubbard- corrections (DFT+) is currently one of the widely used methods for first-principles electronic structure modeling of insulat…
Magnetoelectric properties of the multiferroic CuCrO studied by means of ab initio calculations and Monte Carlo simulations
Ahmed Albaalbaky, Yaroslav Kvashnin, Denis Ledue +2
Motivated by the discovery of multiferroicity in the geometrically frustrated triangular antiferromagnet CuCrO below its Néel temperature , we investigate its magnetic and…
Non-local Gilbert damping tensor within the torque-torque correlation model
Danny Thonig, Yaroslav Kvashnin, Olle Eriksson +1
An essential property of magnetic devices is the relaxation rate in magnetic switching which depends strongly on the damping in the magnetisation dynamics. It was recently measured…
Half-metallicity and magnetism in the CoMnAl/CoMnVAl heterostructure
Igor Di Marco, Andreas Held, Samara Keshavarz +2
We present a study of the electronic structure and magnetism of CoMnAl, CoMnVAl and their heterostructure. We employ a combination of density-functional theory and dynamical me…
Theory of non-collinear interactions beyond Heisenberg exchange; applications to bcc Fe
A. Szilva, D. Thonig, P. F. Bessarab +8
We show for a simple non-collinear configuration of the atomistic spins (in particular, where one spin is rotated by a finite angle in a ferromagnetic background) that the pairwise…
Theory of -edge spectroscopy of strongly correlated systems
Johann Lüder, Johan Schött, Barbara Brena +6
X-ray absorption spectroscopy measured at the -edge of transition metals (TMs) is a powerful element-selective tool providing direct information about the correlation effects in…