Phosphorus vacancy in InP: A negative- U center
Loading...
Access rights
© 1993 American Physical Society (APS). This is the accepted version of the following article: Alatalo, M. & Nieminen, Risto M. & Puska, M. J. & Seitsonen, A. P. & Virkkunen, R. 1993. Phosphorus vacancy in InP: A negative- U center. Physical Review B. Volume 47, Issue 11. 6381-6384. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.47.6381, which has been published in final form at http://journals.aps.org/prb/abstract/10.1103/PhysRevB.47.6381.
Final published version
URL
Journal Title
Journal ISSN
Volume Title
School of Science |
A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
Unless otherwise stated, all rights belong to the author. You may download, display and print this publication for Your own personal use. Commercial use is prohibited.
Date
1993
Major/Subject
Mcode
Degree programme
Language
en
Pages
6381-6384
Series
Physical Review B, Volume 47, Issue 11
Abstract
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.Description
Keywords
InP, phosphorous vacancy
Other note
Citation
Alatalo, M. & Nieminen, Risto M. & Puska, M. J. & Seitsonen, A. P. & Virkkunen, R. 1993. Phosphorus vacancy in InP: A negative- U center. Physical Review B. Volume 47, Issue 11. 6381-6384. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.47.6381.