Indium and phosphorus vacancies and antisites in InP
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A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
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Date
1994-02-15
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Language
en
Pages
10
5253-5262
5253-5262
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Physical Review B, Volume 49, issue 8
Abstract
We present an extensive study of the structure and energetics of monovacancies and antisites in InP. Using a first-principles approach, the different charge states of indium and phosphorus vacancies and antisites are examined. The lattice distortions around the defects are derived fully self-consistently with respect to both electronic and ionic degrees of freedom. Jahn-Teller relaxations, defect-induced one-electron energy levels, and ionization potentials in the band gap are discussed. From the formation energies we predict the favored vacancies and antisites under different stoichiometry conditions.Description
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Seitsonen , A P , Virkkunen , R , Puska , M J & Nieminen , R M 1994 , ' Indium and phosphorus vacancies and antisites in InP ' , Physical Review B , vol. 49 , no. 8 , pp. 5253-5262 . https://doi.org/10.1103/PhysRevB.49.5253