Investigations on diamond structures with embedded defect centres using numerical and ab initio simulation techniques

Beschreibung

Defect centres, e.g. the NV, the SiV or the GeV, embedded in extended and nanoscale diamond structures are promising candidates for the realisation of quantum information, quantum processing and high resolution magnetometry technologies. These applications require precise prediction of strucutural and optical properties of the defect centres seperated by less than 10nm where quantum entanglement becomes significant. Using numerical and ab initio simulation techniques the formation of defect centres in diamond is inverstigated. In particular, the channeling effect during shallow implantations in molecular dynamics and Monte Carlo simulations is examined. In order to investigate optical properties of diamond systems a combination of density functional theory within LDA and configuration interaction are used to obtain many body effects in the excitonic spectra.

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Denis Antonov

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