Phosphorus vacancy in InP: A negative-U center

M. Alatalo*, R. M. Nieminen, M. J. Puska, A. P. Seitsonen, R. Virkkunen

*Corresponding author for this work

Research output: Contribution to journalArticleScientificpeer-review

28 Citations (Scopus)
60 Downloads (Pure)


Using first-principles simulations, we identify the phosphorous vacancy in InP as a negative-U center. The deep levels associated with this defect are in the upper half of the band gap, and the charge state changes directly from positive to negative as the Fermi level is raised: the vacancy captures two electrons rather than one. We also obtain the relaxed structures and formation energies for the In and P vacancies as a function of both electron and atomic chemical potentials.

Original languageEnglish
Pages (from-to)6381-6384
Number of pages4
JournalPhysical Review B
Issue number11
Publication statusPublished - 15 Mar 1993
MoE publication typeA1 Journal article-refereed

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