activity
20092026
most citedCalculating linear response functions for finite temperatures on the basis of the alloy analogy model

145 citations · 655 across the 28 of their papers we have counts for

collaborators

28 papers

cond-mat.mtrl-sci2026

Electrically and optically active charge carrier traps in silicon-doped few-layer GaSe

M. Bissolo, R. Li, M. Ogura +9

Understanding defects in atomically thin van der Waals (vdW) semiconductors is essential for advancing their use in next-generation optoelectronic and photovoltaic devices. Here, w…

cond-mat.mtrl-sci2025

Electric polarization driven by non-collinear spin alignment investigated by first principles calculations

Sergiy Mankovsky, Svitlana Polesya, Jan Minar +2

We present an approach for first principles investigations on the spin driven electric polarization in type II multiferroics. We propose a parametrization of the polarization with…

cond-mat.mtrl-sci2024

Ultrafast spin dynamics: role of laser-induced modification of exchange parameters

Sergiy Mankovsky, Svitlana Polesya, Hubert Ebert

Induced by an ultra-short laser pulse, the electronic structure of a material undergoes strong modifications leading to a fast demagnetization in magnetic materials. Induced spin-f…

cond-mat.mtrl-sci2023★ 7 cited

Calculating spin-lattice interactions in ferro- and antiferromagnets: the role of symmetry, dimension and frustration

Hannah Lange, Sergiy Mankovsky, Svitlana Polesya +3

Recently, the interplay between spin and lattice degrees of freedom has gained a lot of attention due to its importance for various fundamental phenomena as well as for spintronic…

cond-mat.mtrl-sci2022★ 9 cited

Spin-lattice interaction parameters from first principles: theory and implementation

Sergiy Mankovsky, Hannah Lange, Svitlana Polesya +1

A scheme is presented to calculate on a first-principles level the spin-lattice coupling (SLC) parameters needed to perform combined molecular-spin dynamics (MSD) simulations. By t…

cond-mat.mtrl-sci2022★ 12 cited

Rotationally invariant formulation of spin-lattice coupling in multi-scale modeling

Markus Weißenhofer, Hannah Lange, Akashdeep Kamra +4

In the spirit of multi-scale modeling, we develop a theoretical framework for spin-lattice coupling that connects, on the one hand, to ab initio calculations of spin-lattice coupli…