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Theoretical Physics

Research description

The research area of Prof. Abrikosov covers a broad spectrum of fundamental problems within
theoretical solid-state physics. This includes the development of efficient ab initio methods,
their implementations in the form of robust computer codes, and the applications for the
description and understanding of materials properties. The investigations are largely focused
on electronic, thermodynamic, and magnetic properties of disordered systems, e.g. point
defects, random alloys, surfaces and interfaces.

1). Methodological developments. In particular, a new method, the locally self-consistent
Green's function (LSGF) method has been suggested and developed. The LSGF method is suitable
for calculation of the electronic properties of systems with an arbitrary distribution of
atoms of different kinds on an underlying crystal lattice.

2). Basic study of materials properties. This includes a study of the electronic structure
of materials, as well as an investigation of the influence of external parameters (temperature,
pressure, composition) on the electronic structure, phase stabilities, magnetic and thermodynamic
properties of alloys and compounds. The aim is to develop an understanding of correlations
between parameters and properties, formulated in a physically transparent way.

3). Magnetic properties of alloys. In particular, the first-principles electronic structure
calculations carried out for the fcc Invar FeNi alloy provided a qualitatively new explanation
for well-known peculiarities of Invar systems (Nature, Vol. 400, p. 46, 1999).

4). Ab initio simulations of systems with reduced dimensionality. An important area, where
the theory can give substantial contribution, is the nanoscience and the information technologies.
In particular, we study properties of thin films and dilute magnetic semiconductors.

5). Study of materials relevant for industrial applications. It is important to point out
that particular attention is paid to a study of environmentally friendly materials, technologies
and processes. For example, based on our earlier fundamental study of properties of pure Ce,
the microscopic mechanism of an extraordinary ability of ceria to store, release and transport
oxygen was revealed. The AIP Bulletin of Physics "Physics News Update" Number 607, 1 from
October 2, 2002, the Nature Materials Update Research Highlights from October 10, 2002, and December
2002 issue of the Physics Today highlighted the theory.

Contact:
Igor Abrikosov, Professor, Theoretical Physics,
Department of Physics and Measurement Technology (IFM),
Linköpings University
SE-581 83 Linköping
Phone: +46(0)-13-285650
Office location: Fysikhuset, F308
e-mail: Igor.Abrikosov@ifm.liu.se