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 ∼0.5eV. 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.
Physical Review Letters
- Pub Date:
- May 2006
- Doping and impurity implantation in III-V and II-VI semiconductors;
- Theories and models of crystal defects;
- Total energy and cohesive energy calculations;
- II-VI semiconductors