We perform research in the field of inorganic solid state/materials chemistry with a strong focus on metallic and semimetallic materials. Intermetallic compounds (ICs, compounds between different metals) and alloys represent the largest group of inorganic compounds and are distinguished by an extremely flexible structural chemistry and a wide range of attractive physical properties. In particular, our research addresses (1) fundamental studies of bonding and structure-property relationships of ICs; (2) fundamental studies of phase and structural stability of ICs at ambient conditions and high pressures; (3) the search for new narrow-gap semiconducting materials with useful thermoelectric properties; (4) the search for novel metal-semimetal hydride compounds; (5) the extension of materials synthesis to extreme conditions (i.e. the simultaneous application of high pressures and temperatures).

An important aspect of our research is the intimate combination of experimental work with advanced electronic structure calculations (full-potential or plane wave techniques in the framework of density functional theory). Stability and properties of a material are governed by its electronic structure. Thus, electronic structure theory facilitates the interpretation and rationalisation of experimental results, helps to uncover essential relationships and directs further experiments. Nowadays the accurate computation of a large number of properties for materials with increasingly complex structures has become possible and computational methods start to develop into an important tool for the crystal chemistry design of materials.

1. Bonding concepts and structure-property relationships of ICs

2. Phase and structural stability of ICs

3. Narrow-gap semiconductors with complex framework structures

4. Polyanionic hydrides

5. Extension of materials synthesis to extreme conditions

Funding history

• Basic funding for the project “Structural and electronic description of intermetallic compounds at the metal-nonmetal border” (Swedish Research Council), 1999-2004 (2004: 406 kSEK), PI

• Basic funding for the project “New materials from synthesis under extreme conditions” (Swedish Research Council), 2005-2006 (674 kSEK/year), PI
  
• Basic funding for the project “High-pressure investigations of intermetallic compounds” (Carl-Trygger foundation), 2002 - 2005 (2004: 260 kSEK), PI

• Funding for expensive equipment “High-pressure high-temperature materials synthesis” (Knut & Alice Wallenberg foundation), 2003 (2500 kSEK), PI