Abstract
The energy-band alignments for zb-ZnSe(001)/α-Zn3P 2(001), w-CdS(0001)/α-Zn3P2(001), and w-ZnO(0001)/α-Zn3P2(001) heterojunctions have been determined using high-resolution x-ray photoelectron spectroscopy via the Kraut method. Ab initio hybrid density functional theory calculations of the valence-band density of states were used to determine the energy differences between the core level and valence-band maximum for each of the bulk materials. The ZnSe/Zn3P2 heterojunction had a small conduction-band offset, ΔEC, of -0.03 ± 0.11 eV, demonstrating a nearly ideal energy-band alignment for use in thin-film photovoltaic devices. The CdS/Zn3P2 heterojunction was also type-II but had a larger conduction-band offset of ΔEC = -0.76 ± 0.10 eV. A type-III alignment was observed for the ZnO/Zn3P2 heterojunction, with ΔEC = -1.61 ± 0.16 eV indicating the formation of a tunnel junction at the oxide-phosphide interface. The data also provide insight into the role of the II-VI/Zn3P2 band alignment in the reported performance of Zn3P2 heterojunction solar cells.
| Original language | English |
|---|---|
| Article number | 203705 |
| Journal | Journal of Applied Physics |
| Volume | 113 |
| Issue number | 20 |
| DOIs | |
| Publication status | Published - 2013 |
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ASJC Scopus subject areas
- Physics and Astronomy(all)
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Energy-band alignment of II-VI/Zn3P2 heterojunctions from x-ray photoemission spectroscopy. / Bosco, Jeffrey P.; Scanlon, David O.; Watson, Graeme W.; Lewis, Nathan S; Atwater, Harry A.
In: Journal of Applied Physics, Vol. 113, No. 20, 203705, 2013.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Energy-band alignment of II-VI/Zn3P2 heterojunctions from x-ray photoemission spectroscopy
AU - Bosco, Jeffrey P.
AU - Scanlon, David O.
AU - Watson, Graeme W.
AU - Lewis, Nathan S
AU - Atwater, Harry A.
PY - 2013
Y1 - 2013
N2 - The energy-band alignments for zb-ZnSe(001)/α-Zn3P 2(001), w-CdS(0001)/α-Zn3P2(001), and w-ZnO(0001)/α-Zn3P2(001) heterojunctions have been determined using high-resolution x-ray photoelectron spectroscopy via the Kraut method. Ab initio hybrid density functional theory calculations of the valence-band density of states were used to determine the energy differences between the core level and valence-band maximum for each of the bulk materials. The ZnSe/Zn3P2 heterojunction had a small conduction-band offset, ΔEC, of -0.03 ± 0.11 eV, demonstrating a nearly ideal energy-band alignment for use in thin-film photovoltaic devices. The CdS/Zn3P2 heterojunction was also type-II but had a larger conduction-band offset of ΔEC = -0.76 ± 0.10 eV. A type-III alignment was observed for the ZnO/Zn3P2 heterojunction, with ΔEC = -1.61 ± 0.16 eV indicating the formation of a tunnel junction at the oxide-phosphide interface. The data also provide insight into the role of the II-VI/Zn3P2 band alignment in the reported performance of Zn3P2 heterojunction solar cells.
AB - The energy-band alignments for zb-ZnSe(001)/α-Zn3P 2(001), w-CdS(0001)/α-Zn3P2(001), and w-ZnO(0001)/α-Zn3P2(001) heterojunctions have been determined using high-resolution x-ray photoelectron spectroscopy via the Kraut method. Ab initio hybrid density functional theory calculations of the valence-band density of states were used to determine the energy differences between the core level and valence-band maximum for each of the bulk materials. The ZnSe/Zn3P2 heterojunction had a small conduction-band offset, ΔEC, of -0.03 ± 0.11 eV, demonstrating a nearly ideal energy-band alignment for use in thin-film photovoltaic devices. The CdS/Zn3P2 heterojunction was also type-II but had a larger conduction-band offset of ΔEC = -0.76 ± 0.10 eV. A type-III alignment was observed for the ZnO/Zn3P2 heterojunction, with ΔEC = -1.61 ± 0.16 eV indicating the formation of a tunnel junction at the oxide-phosphide interface. The data also provide insight into the role of the II-VI/Zn3P2 band alignment in the reported performance of Zn3P2 heterojunction solar cells.
UR - http://www.scopus.com/inward/record.url?scp=84879075970&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84879075970&partnerID=8YFLogxK
U2 - 10.1063/1.4807646
DO - 10.1063/1.4807646
M3 - Article
AN - SCOPUS:84879075970
VL - 113
JO - Journal of Applied Physics
JF - Journal of Applied Physics
SN - 0021-8979
IS - 20
M1 - 203705
ER -