Structure and stability of color defect centers in carbon systems
(B06)
Subject Area
Theoretical Condensed Matter Physics
Term
from 2011 to 2018
Project identifier
Deutsche Forschungsgemeinschaft (DFG) - Project number 17546514
The project investigates the stability and the structure of defect color centers embedded close to the surface in bulk as well as nanodiamonds as a function of external parameters (pressure, temperature, shape) using a combination of Molecular Dynamics and ab initio simulation. In addition, the influence of surface termination and deformation, e.g. electron-phonon coupling, on the excited states of the color center (fluorescence spectra) embedded in carbon structures is examined using a combination of density functional theory and Configuration Interaction approaches. The same procedure will be utilized for investigation of structural and electronic properties of surface hybrids (polymers, DNA) of nanodiamonds.
DFG Programme
Collaborative Research Centres
