Student: Lozano Marco Aurelio
Supervisor: doc. Ing. Pavel Jelínek, Ph.D., FzÚ AV ČR
ConsultantMgr. Martin Ondráček, Ph.D., FzÚ AV ČR, Mgr. D. Soler Ph.D., FzÚ AV ČR
Status: Assigned
Abstract:
The current development of experimental methods makes it possible to prepare well-defined low-dimensional molecular systems on surfaces that exhibit interesting material properties. Among other things, this progress opens up new possibilities for the design of functional devices in the field of nano and optoelectronics. For further development, it is desirable to gain a deeper understanding of their material properties, which are defined by atomic and electronic structure. The aim of the work is to acquire theoretical tools for the calculation of atomic and electronic structure based on model Hamiltonians, as well as realistic calculations based on the theory of density functional. As part of the doctoral thesis, these procedures will be applied to selected low-dimensional molecular systems. Theoretical calculations will be performed in close cooperation with experimental measurements. Further development of computer simulations is expected within the doctoral study.
Literature
1. W. Barford, Electronic and Optical Properties of Conjugated Polymers, Oxford University Press, 2013
2. Th. Giamarchi, Quantum Physics in one dimension, Clarendon Press, 2004
3. R.G. Parr and W. Yang Density-Functional Theory of Atoms and Moelcules 1989 Oxford University Pres
4. V. May and O. Kuhn Charge and Energy Transfer Dynamics in Molecular Systems, Wiley-VCH (2003)
5. G. Grosso, G. P. Parravicini Solid State Physics Academic Press (2000)