Τα ερευνητικά του ενδιαφέροντα εστιάζονται σε:
- Θεωρητική μελέτη των δομικών, ηλεκτρονικών και οπτικών Ιδιοτήτων νανοδομημένων υλικών με μεθόδους από πρώτες αρχές και προχωρημένες τεχνικές από το χώρο της κβαντικής χημείας.
- Μελέτη νανοδομών (nanorods, nanowires) ημιαγωγών (αποτελούμενες από χιλιάδες άτομα) με υπολογισμούς στα πλαίσια της Empirical Pseudopotential Method (EPM).
- Φαινομενολογικοί υπολογισμοί με την effective mass approximation (EMA).
- Όλο το φάσμα των ιδιοτήτων και προβλημάτων που είναι δυνατόν να προσεγγιστούν είτε με ημιεμπειρικούς, είτε με ab initio υπολογισμούς.
Αντιπροσωπευτικές Δημοσιεύσεις:
- C. S. Garoufalis, A. D. Zdetsis and S. Grimme “High Level Ab Initio Calculations of the Optical Gap of Small Silicon Quantum dots” Phys. Rev. Lett. 87, 276402-1 (2001)
- C. S. Garoufalis and A. D. Zdetsis “High accuracy calculations of the optical gap and absorption spectrum of oxygen contaminated Si nanocrystals” Phys. Chem. Chem Phys. 8 (7), pp. 808-813 (2006)
- Z. Zeng, C. S. Garoufalis, A. F. Terzis, and S. Baskoutas, "Linear and nonlinear optical properties of ZnO/ZnS and ZnS/ZnO core shell quantum dots: effects of shell thickness, impurity and dielectric environment", J. Appl. Phys. 114, 023510 (2013)
- Zeng, Z., Garoufalis, C., Baskoutas, S. ”New Insights in the Excitonic Emission of ZnS Colloidal Quantum Dots”, The Journal of Physical Chemistry C 118, 10502 (2014).
- S. Baskoutas, Z. Zeng, C. S. Garoufalis and G. Bester, "Morphology control of exciton fine structure in polar and nonpolar zinc sulfide nanorods" Sci Rep. 7: 9366 (2017).
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