First-principles study of the diffusion of hydrogen in ZnO.
Phys Rev Lett
; 96(20): 205504, 2006 May 26.
Article
em En
| MEDLINE
| ID: mdl-16803184
ABSTRACT
Zinc oxide, a wide-gap semiconductor, typically exhibits n-type conductivity even when nominally undoped. The nature of the donor is contentious, but hydrogen is a prime candidate. We present ab initio calculations of the migration barrier for H, yielding a barrier of less than approximately 0.5 eV. This indicates isolated hydrogen is mobile at low temperature and that thermally stable H-related donors must logically be trapped at other defects. We argue this is also true for other oxides where H is a shallow donor.
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MEDLINE
Idioma:
En
Revista:
Phys Rev Lett
Ano de publicação:
2006
Tipo de documento:
Article
País de afiliação:
Reino Unido