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A tale of two vacancies

W Cheng, L Liu, P Yu, Z Ma, and S Mao
Ann. Phys. (2010) vol. 1 pp. 8

In this paper we have applied first-principle density-functional theory to calculate some of the interesting roles played by vacancies in material properties, such as magnetic properties and complex formation. We use as examples our recent results on vacancies in group III-V semiconductors like GaN and II-VI semicon- ductor like CdTe.