313 citations · 2.8k across the 88 of their papers we have counts for
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Designing Fe Nanostructures at Graphene/h-BN Interfaces
Soumyajyoti Haldar, Pooja Srivastava, Olle Eriksson +2
Tailor-made magnetic nanostructures offer a variety of functionalities useful for technological applications. In this work, we explore the possibilities of realizing Fe nanostructu…
Tuning the Curie temperature of FeCo compounds by tetragonal distortion
A. Jakobsson, E. Sasioglu, Ph. Mavropoulos +4
Combining density-functional theory calculations with a classical Monte Carlo method, we show that for B2-type FeCo compounds tetragonal distortion gives rise to a strong reduction…
Exchange parameters and adiabatic magnon energies from spin-spiral calculations
Adam Jacobsson, Biplab Sanyal, Marjana Lezaic +1
We present a method of extracting the exchange parameters of the classical Heisenberg model from first-principles calculations of spin-spiral total energies based on density functi…
A first principles study of the stability and mobility of defects in titanium carbide
Mikael Råsander, Biplab Sanyal, Ulf Jansson +1
We have performed density functional calculations of the formation energies of substitutional transition metal (TM) defects, C vacancies, and C interstitial defects in TiC. In addi…
Iron porphyrin molecules on Cu(001): Influence of adlayers and ligands on the magnetic properties
H. C. Herper, M. Bernien, S. Bhandary +14
The structural and magnetic properties of Fe octaethylporphyrin (OEP) molecules on Cu(001) have been investigated by means of density functional theory (DFT) methods and X-ray abso…