Výsledky vyhledávání - "Svensson, B G"

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Zn vacancy-donor impurity complexes in ZnO

Autor: Frodason, Y. K., Johansen, K. M., Bjørheim, T. S., Svensson, B. G., Alkauskas, A.

Publikováno v: Phys. Rev. B 97, 104109 (2018)

Results from hybrid density functional theory calculations on the thermodynamic stability and optical properties of the Zn vacancy ($V_{\text{Zn}}$) complexed with common donor impurities in ZnO are reported. Complexing $V_{\text{Zn}}$ with donors su

Externí odkaz: http://arxiv.org/abs/1804.00919

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Zn vacancy as a polaronic hole trap in ZnO

Autor: Frodason, Y. K., Johansen, K. M., Bjørheim, T. S., Svensson, B. G., Alkauskas, A.

Publikováno v: Phys. Rev. B 95, 094105 (2017)

This work explores the Zn vacancy in ZnO using hybrid density functional theory calculations. The Zn vacancy is predicted to be an exceedingly deep polaronic acceptor that can bind a localized hole on each of the four nearest-neighbor O ions. The hol

Externí odkaz: http://arxiv.org/abs/1705.09215

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Electronic structure and optical properties of ZnX (X=O, S, Se, Te)

Autor: Karazhanov, S. Zh., Ravindran, P., Kjekshus, A., Fjellvag, H., Svensson, B. G.

Publikováno v: Phys. Rev. B, 75, 155104 (2007)

Electronic band structure and optical properties of zinc monochalcogenides with zinc-blende- and wurtzite-type structures were studied using the ab initio density functional method within the LDA, GGA, and LDA+U approaches. Calculations of the optica

Externí odkaz: http://arxiv.org/abs/0705.2550

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Coulomb correlation effects in zinc monochalcogenides

Autor: Karazhanov, S. Zh., Ravindran, P., Grossner, U., Kjekshus, A., Fjellvag, H., Svensson, B. G.

Publikováno v: J. Appl. Phys. (2006)

Electronic structure and band characteristics for zinc monochalcogenides with zinc-blende- and wurtzite-type structures are studied by first-principles density-functional-theory calculations with different approximations. It is shown that the local-d

Externí odkaz: http://arxiv.org/abs/cond-mat/0608121

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Electronic structure and band parameters for ZnX (X = O, S, Se, Te)

Autor: Karazhanov, S. Zh., Ravindran, P., Grossner, U., Kjekhus, A., Fjellvag, H., Svensson, B. G.

Publikováno v: J. Cryst. Growth 287 (2006) 162-168

First-principles density-functional calculations have been performed for zinc monochalcogenides with zinc-blende- and wurtzite-type structures. It is shown that the local-density approximation underestimates the band gap, misplaces the energy levels

Externí odkaz: http://arxiv.org/abs/cond-mat/0608107

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