Bandstructure Group

Electronic Structure

The work-horse of our group was the augmented spherical waves method (ASW)
The work-horse of our group was the augmented spherical waves method (ASW).

Topics of present and former research

Our former research was centred around the electronic structure of metals and compounds. The focus was on band-structure methods, density functional theory, magnetism of transition metals, Actinides and Rare Earth compounds, magneto-optics and thermodynamics of magnetic alloys. Some of these topics are being continued. The Figure below is an example and shows a Fermi surface, the colour code indicating different wave-function properties, see J. Phys. Condens. Matter 8, 901 (1996). Experimental work on the compound UPd2Al3 is still ongoing. A beautiful paper which supports the results of our calculations is by Blackburn et al. and appeared in Phys. Rev. Letters 97, 057002 (2006).

The Augmented Spherical Waves (ASW) Method

The ASW method for calculating electronic and magnetic properties of real solids is described in this section.