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Most important publications of the last 5 years

A. Alkauskas, P. Deák, J. Neugebauer, A. Pasquarello, and C. G. Van de Walle (eds.), Advanced calculations for defects in materials
    [Wiley-VCH, Berlin 2011]

P. Deák, A. Gali, B. Aradi, and T. Frauenheim, Accurate gap levels and their role in the reliability of other calculated defect properties
    Phys. Stat. Sol. (b) 248, 790 (2011).

B. Aradi, P. Deák, Huynh Anh Huy, A. Rosenauer, and T. Frauenheim, The role of symmetry in the stability and electronic structure of titanium dioxide nanowires.
    J. Phys. Chem. C 115, 18494 (2011).

R. Wanbayor, P. Deák, T. Frauenheim, and V. Ruangpornvisuti, First principles theoretical study of the hole-assisted conversion of CO to CO2 on the anatase TiO2(101) surface
    J. Chem. Phys. 134, 104701 (2011).

P. Deák, B. Aradi, and T. Frauenheim, Band lineup and charge carrier separation in mixed rutile-anatase systems
    J. Phys. Chem. C 115, 3443 (2011).

Huynh Anh Huy, B. Aradi, T. Frauenheim, and P. Deák, Calculation of carrier-concentration-dependent effective mass in Nb-doped anatase crystals of TiO2
    Phys. Rev. B 83, 155201 (2011).

P. Deák, B. Aradi, and T. Frauenheim, Polaronic effects in TiO2 calculated by the HSE06 hybrid functional: Dopant passivation by carier self-trapping
    Phys. Rev. B 83, 155207 (2011).

P. Deák, B. Aradi, T. Frauenheim, E. Janzén, and A. Gali, Accurate defect levels obtained from the HSE06 range-separated hybrid functional
    Phys. Rev. B 81, 153203 (2010).

M. Vörös, P. Deák, T. Frauenheim, and A. Gali, The absorption of oxygenated silicon carbide nanoparticles
    J. Chem. Phys. 133, 064705 (2010).

M. Vörös, P. Deák, T. Frauenheim, and A. Gali, The absorption spectrum of hydrogenated silicon carbide nanocrystals from ab initio calculations
    Appl. Phys. Lett. 96, 051909 (2010).

P. Deák, B. Aradi, J. M. Knaup, and T. Frauenheim, Hydrogen adsorption and etching on the Si-rich 3C-SiC(001)3´2 surface: First-principles molecular dynamics calculations
    Phys. Rev. B 79, 085314 (2009).

A. Gali, E. Janzén, P. Deák, G. Kresse, and E. Kaxiras, Theory of the Spin-Conserving Excitation of the N-V Ceter in Diamond
    Phys. Rev. Lett. 103, 186404 (2009).

P. Deák, B. Aradi, T. Frauenheim, and A. Gali, Challenges for ab initio defect modelling
    Mater. Sci. Eng. B 154-155, 187-192 (2008).

P. Deák, J. M. Knaup, T. Hornos, Ch. Thill, A. Gali, and Th. Frauenheim, The mechanism of defect creation and passivation at the SiC/SiO2 interface
    J. Phys. D 40, 6242–6253 (2007). Corrigendum: 41, 049801 (2008).

P. Deák, Th. Frauenheim, and A. Gali, Limits of the scaled shift correction to levels of interstitial defects in semiconductors
    Phys. Rev. B 75, 153204 (2007).

P. Deák, A. Kováts, P. Csíkváry, I. Maros, and Gy. Hárs, Ethynil (C2H): A major player in the chemical vapor deposition of diamond
    Appl. Phys. Lett. 90, 051503 (2007)

B. Aradi, L. E. Ramos, P. Deák, Th. Köhler, F. Bechstedt, R. Q. Zhang, and T. Frauenheim, Theoretical study of the chemical gap tuning in silicon nanowires
    Phys. Rev. B 76, 035305 (2007).