Ponthibák vizsgálata széles tiltott sávú anyagokban a standard sűrűségfunkcionál elméleteken túli módszerekkel = Investigation of point defects in wide band gap materials by methods beyond the standard density functional theory

Temateruletek szerinti eredmenyeim roviden felsorolva: 1) Hibaazonositas felvezetőkben: A sziliciumkarbidban es az aluminiumnitridben szamos ponthibat sikerult azonositanom a kiserleti csoportokkal egyuttműkodve. 2)Spintronika, kvantumoptika: Nitrogen-vakancia a gyemantban az egyik legjelentősebb szilardtestbeli kvantumbit. A fenti hiba gerjesztesi mechanizmusat, spinsűrűseg-eloszlasat es szamos mas tulajdonsagat sikerult szamitasaimmal megerteni. A semleges nitrogen-vakancia elektro-lumineszcencia jelet a szamitasaim segitsegevel sikerult megerteni, amelyet a Nature Photonics folyoiratban szeretnenk lekozolni (biraloknal van a kezirat). Emellett Physical Review Letters es Physical Review B Rapid Communication, valamint tobb meghivott szerzős cikkben kozoltem eredmenyeimet. 3)Napelem: A napelemekkel hatasfokanak lehetseges javitasaval kapcsolatos eredmenyeinket a Nano Letters kozolte. Az eredmenyekről a Materials Research Society folyoirataban recenziot kozoltek. 4)Biomarker: A biomarker temaban elsősorban a SiC nanoszerkezeteket vizsgaltuk meg. Eredmenyeink magyarazatot adnak szamos friss kiserleti tenyre. Az evvel kapcsolatos eredmenyek az Applied Physics Letters es a The Journal of Chemical Physics folyoiratokban jelentek meg. 5) Nanoelektronika: A nanoelektronikaban fontos Si nanohuzalokban egy attoreshez vezető elrendezest vazoltunk fel, amelynek segitsegevel a kismeretű nanohuzalok vezetőkepesseget meg lehet novelni. Eredmenyeinket a Nano Letters folyoiratban kozoltuk. | My results are briefly listed and enumerated in different fields: i) Identification of point defects in semiconductors: Numerous point defects were identified in silicon carbide and aluminum nitride in cooperation with experimental group. ii)Spintronics, quantum optics: Nitrogen-vacancy center in diamond is one of the most prominent quantum bit in solid. The mechanism of excitation, the distribution of spin density, and numerous other properties of this defect were understood by my calculations. The signal of electro-luminescence of neutral nitrogen-vacancy could be understood by the help of my calculations that we wish to publish in Nature Photonics (under referee review). Besides, my results were published in Physical Review Letter, Physical Review B Rapid Communication, and invited feature articles. iii)Photo-voltaics: Our results aout the possible increase in efficiency of solar cells were published in Nano Letters. The results were highlighted in the Bulletin of Materials Research Society in US. iv)Biomarker: We studied mostly SiC nanoparticles in the field of biomarkers. Our results could explain various recent experimental data. We published our results in Applied Physics Letters es a The Journal of Chemical Physics. v)Nanoelectronics: We proposed such a set-up for Si nanowire based nanoelectonics device where it may lead to a breakthrough in increasing the electrical conduction in ultrasmall nanowires. Our results were published in Nano Letters.