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Selected papers

P. Deák, J. Kullgren, B. Aradi, T. Frauenheim and L. Kavan, Water splitting and the band edge positions of TiO2. Electrochim. Acta 199, 27 (2106).

M. Kaviani, P. Deak, B. Aradi, T. Frauenheim, J.-P. Chou, and A. Gali, The proper surface termination for luminescent near-surface NV-centers in diamond. Nano Letters 14, 4772 (2014). 

P. Deák, B Aradi, M. Kaviani, T. Frauenheim, and A. Gali, The formation of NV-centers in diamond: A theoretical study based on calculated transition and migration of nitrogen- and vacancy-related defects. Phys. Rev. B 89, 075203 (2014).

P. Deák, B. Aradi, A. Gagliardi, H. A. Huy, G. Penazzi, B. Yan, T. Wehling, and T. Frauenheim, Possibility of a field effect transistor, based on Dirac particles in semiconducting anatase TiO2 nanowires. Nano Letters 13, 1073 (2013).

P. Deák, B. Aradi, T. Frauneheim, Quantitative theory of the oxygen vacancy and polaron self-trapping in bulk TiO2. Phys. Rev. B 86, 195206 (2012).

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

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).

J. M. Knaup, P. Deák, A. Gali, Z. Hajnal, T. Frauenheim, and W. J Choyke, Theoretical study of the mechanism of dry oxidation in 4H-SiC. Phys. Rev. B 71, 235321 (2005).

B. Aradi, A. Gali, P. Deák, J. E. Lowther, N. T. Son, E. Janzén, and W. J. Choyke, Ab initio density functional supercell calculations on hydrogen defects in cubic SiC. Phs. Rev. B 63, 245202 (2001)

Z. Hajnal, J. Miró, A. Gali, G. Kiss, F. Réti, P. Deák, R. C. herndon, and M. J. Kuperberg, The role of oxygen vacancy states in the n-type conduction of ß-Ga2O3. J. Appl. Phys. 86, 3792-3796 (1999).

P. Deák, M. Rosenbauer, M. Stutzmann, J. Weber, and M. S. Brandt, Siloxene: chemical quantum confinement due to oxygen in a silicon matrix. Phys. Rev. Lett. 69, 2531 (1992).

P. Deák, L. C. Snyder, and J. W. Corbett, Theoretical studies on the core of the 450°C oxygen thermal donors in silicon. Phys. Rev. B 45, 11612-11626 (1992).

P. Deák, L. C. Snyder, and J. W. Corbett, The state and motion of hydrogen in silicon. Phys. Rev. B 37, 6887-6892 (1988).