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Oxygen vacancies in ZnO
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10.1063/1.2053360
/content/aip/journal/apl/87/12/10.1063/1.2053360
http://aip.metastore.ingenta.com/content/aip/journal/apl/87/12/10.1063/1.2053360

Figures

Image of FIG. 1.
FIG. 1.

(a) Formation energies vs Fermi level for oxygen vacancies in ZnO in the 0, , and , under Zn-rich conditions, calculated using the procedure described in the text. (b) Position of with respect to the top of the valence band in ZnO compared to that in ZnSe, taking into account the natural valence-band offset.

Image of FIG. 2.
FIG. 2.

(Color online) Ball and stick representation of the local atomic relaxations around the oxygen vacancy in the 0, , and . The position of the state is also shown for the equilibrium configuration of each charge state.

Image of FIG. 3.
FIG. 3.

Calculated configuration coordinate diagram for , , and . In (a) the Fermi energy is located at the conduction-band minimum and in (b), at the valence-band maximum . The arrows indicate light absorption and light emission .

Tables

Generic image for table
Table I.

Calculated band gaps and transition levels for oxygen vacancies in ZnO (in eV). LDA, , and extrapolated values are listed.

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/content/aip/journal/apl/87/12/10.1063/1.2053360
2005-09-14
2014-04-19
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Oxygen vacancies in ZnO
http://aip.metastore.ingenta.com/content/aip/journal/apl/87/12/10.1063/1.2053360
10.1063/1.2053360
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