Barragan-Yani, D. ; Albe, K. (2018)
Influence of Na and Ga on the electrical properties of perfect 60° dislocations in Cu(In, Ga)Se2 thin-film photovoltaic absorbers.
In: Journal of Applied Physics, 123 (16)
doi: 10.1063/1.5026483
Artikel, Bibliographie
Kurzbeschreibung (Abstract)
The segregation of GaIn and Na_Cu to perfect 60° dislocations in CuIn_1–x Ga_x Se_2 is investigated by means of density functional theory calculations. We find that the segregation process is mainly driven by the elastic interaction of both defect types with the strain field of the dislocation. Ga_In moves into the negatively strained region, while Na_Cu is found in the positively strained region. We show that both defects affect the electronic defect levels induced by the dislocation core and Ga_In is able to passivate the β-core in CuInSe2. This result indicates that β-cores are inactive in CuIn_1–x Ga_x Se_2. Na_Cu; however, they do not have a significant effect on the electrical properties of the studied dislocation cores. Therefore, the experimentally observed sodium segregation to dislocation cores in CuIn_1–x Ga_x Se_2 cannot be considered as the passivation mechanism of the electrically active cores in that material.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2018 |
| Autor(en): | Barragan-Yani, D. ; Albe, K. |
| Art des Eintrags: | Bibliographie |
| Titel: | Influence of Na and Ga on the electrical properties of perfect 60° dislocations in Cu(In, Ga)Se2 thin-film photovoltaic absorbers |
| Sprache: | Englisch |
| Publikationsjahr: | 26 April 2018 |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | Journal of Applied Physics |
| Jahrgang/Volume einer Zeitschrift: | 123 |
| (Heft-)Nummer: | 16 |
| DOI: | 10.1063/1.5026483 |
| URL / URN: | https://doi.org/10.1063/1.5026483 |
| Kurzbeschreibung (Abstract): | The segregation of GaIn and Na_Cu to perfect 60° dislocations in CuIn_1–x Ga_x Se_2 is investigated by means of density functional theory calculations. We find that the segregation process is mainly driven by the elastic interaction of both defect types with the strain field of the dislocation. Ga_In moves into the negatively strained region, while Na_Cu is found in the positively strained region. We show that both defects affect the electronic defect levels induced by the dislocation core and Ga_In is able to passivate the β-core in CuInSe2. This result indicates that β-cores are inactive in CuIn_1–x Ga_x Se_2. Na_Cu; however, they do not have a significant effect on the electrical properties of the studied dislocation cores. Therefore, the experimentally observed sodium segregation to dislocation cores in CuIn_1–x Ga_x Se_2 cannot be considered as the passivation mechanism of the electrically active cores in that material. |
| Fachbereich(e)/-gebiet(e): | 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Materialmodellierung Zentrale Einrichtungen > Hochschulrechenzentrum (HRZ) > Hochleistungsrechner 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft Zentrale Einrichtungen > Hochschulrechenzentrum (HRZ) 11 Fachbereich Material- und Geowissenschaften Zentrale Einrichtungen |
| Hinterlegungsdatum: | 27 Apr 2018 08:45 |
| Letzte Änderung: | 27 Apr 2018 08:45 |
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