The physical properties of
the materials
(i.e. mechanical properties as well as thermal,
electrical and transport
properties)
are essentially determined by the electronic properties
of the material.Following an ab-initio
approach, in which the only approximation made
concerns the exchange and
correlation
interactions among electrons, it is possible to
calculate exactly the binding
and
the electronic properties of each material.
Our research is focussed on
various
different materials for which we characterize
their different electronic,
structural
and magnetic properties.
We use different ab-initio
methods: the all-electron FLAPW
method, the plane wave method
(PWSCF)
and the all-electron DMOL
methods for periodic as well as
thin films or cluster calculations.
The materials we have been recently investigating are the following: