Design of shallow acceptors in ZnO through early transition metals codoped with N acceptors

Physical Review B - Condensed Matter and Materials Physics

Volumn 83, Issue 8, 2011, Pages

  Duan, X M ^a   Stampfl, C ^b   Bilek, M M M ^b   McKenzie, D R ^b   Wei, Su Huai ^c  

^a NINGBO UNIVERSITY   (China)

^b UNIVERSITY OF SYDNEY   (Australia)

^c NATIONAL RENEWABLE ENERGY LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 79961003253     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.83.085202     Document Type: Article

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49. We note that formation of the TM-N complexes is expected to readily occur given the large binding energy (between 1 and 2 eV), which is sufficient to overcome entropy effects, and that recent experiments indicate that N atoms diffuse readily in undoped ZnO, partially substituting for oxygen sites of ZnO [J. Lee, J. Ha, J. Hong, S. Cha, and U. Paik, J. Vac. Sci. Technol. B 0734-211X 10.1116/1.2968706 26, 1696 (2008)]. For the complexes involving TM bound to three and four N atoms, where the binding energies are smaller, it is possible that entropy effects may prevent their formation, depending on the temperature and concentration.