Marie Curie

Status: finished project
Contract Number:
Grant Agreement PIIF-GA-2012-326435

The global objective of the project is to develop a theoretical framework for the
first-principles description of the macroscopic electromagnetic response of solids with a
full and accurate account of the spatial dispersion and memory effects. The new scheme
will be applied to study two fundamental properties of extended systems: the natural
optical activity and the magnetoelectric effect in crystals of technological relevance, such
as multiferroics and topological insulators. We should state that at present there is no
theory able to model the frequency-dependent response of extended systems with the
full account of spatial dispersion. The response of these systems to static fields has been
widely studied in recent years and among others has given rise to the development of
what is known as the modern theory of polarisation. The present project aims at the
extension of those theories to the time-domain and will certainly have a big impact in the
fields of condensed matter, material science, nano- and bioscience. The outcome of the
project would be delivered to the whole scientific community as part of the Octopus
project that aims to have a fully versatile free (GNU license) code able to describe the
time-dependent electron-ion dynamics of finite and extended systems to arbitrary intense
and time-dependent electromagnetic perturbations.
The solution of the challenging theoretical problem addressed by the project requires
combination of the expertise of the host in modeling electronic properties of matter and
the strong background of the researcher in theoretical physics, materials science and
computational methods. The know-how of the researcher in multi-level modeling and
close collaboration with industry will help to raise the level of the host group in these
areas. The project will be a seed to the long-term collaboration between the host group
and the present group of the researcher in Russia.


Research Executive Agency (REA)EUROPEAN COMMISSION



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