Defects in compound semiconductors caused by molecular nitrogen.
Phys Rev Lett
; 103(14): 145501, 2009 Oct 02.
Article
en En
| MEDLINE
| ID: mdl-19905579
ABSTRACT
The interaction of nitrogen molecules (N2) with the host lattice of compound semiconductors is investigated using first-principles density-functional calculations. In ZnO it is found that N2 causes localized states in the band gap either by forming an N2O molecule or by breaking a Zn-O bond. This mechanism contributes to the observed low nitrogen doping efficiency in ZnO. The appearance of localized states caused by N2 was also found in other semiconductors such as MgO and NaCl.
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Base de datos:
MEDLINE
Idioma:
En
Revista:
Phys Rev Lett
Año:
2009
Tipo del documento:
Article