Atomic and electronic structure of hydrogen on ZnO (11̄00) surface: ab initio hybrid calculations

Hydrogen atoms unavoidably incorporated into ZnO during growth of bulk samples and thin films considerably affect their electrical conductivity. The results of first principles hybrid LCAO calculations are discussed for hydrogen atoms in the bulk and on the non-polar ZnO (1 00) surface. The incorpor...

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Veröffentlicht in:	IOP conference series. Materials Science and Engineering 2013-12, Vol.49 (1), p.12054-4
Hauptverfasser:	Usseinov, A B, Kotomin, E A, Zhukovskii, Yu F, Purans, J, Sorokin, A V, Akilbekov, A T
Format:	Artikel
Sprache:	eng
Schlagworte:	Atomic structure Density Donors (electronic) Electrical resistivity Electronic structure Electronics First principles Hydrogen Hydrogen atoms Mathematical analysis Surface chemistry Thin films Zinc oxide
Online-Zugang:	Volltext
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