The band gap of Cu2ZnSnSe4: Effect of order-disorder

Rey, Germain; Redinger, Alex; Sendler, Jan; Weiss, Thomas Paul; Thevenin, Maxime; Guennou, Maël; Adib, Brahime El; Siebentritt, Susanne

doi:10.1063/1.4896315

Cited by 219 publications

(262 citation statements)

References 25 publications

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“…The Zn-Sn layer ordering makes a relatively smaller effect because it influences only the ordering with ST and PMCA as the two end point constituents, and they are both derived from the CuAu (CA) structure of the ternary compounds. 10 The effect of Cu-Zn ordering is the smallest, consistent with the fact that Cu and Zn are same row neighbors in the Periodic Experiment studies show that the band gap of CZTSe is around 1 eV, 4,18 however, it generally decreases with increasing of the annealing temperature, and the deviation of the band gap is as large as 0.12 eV. 18 Our calculation shows that lower band gap polytypes have higher formation energy, which are more likely to form as temperature increases, resulting in the reduced band gap.…”

Section: Resultssupporting

confidence: 56%

“…10 The effect of Cu-Zn ordering is the smallest, consistent with the fact that Cu and Zn are same row neighbors in the Periodic Experiment studies show that the band gap of CZTSe is around 1 eV, 4,18 however, it generally decreases with increasing of the annealing temperature, and the deviation of the band gap is as large as 0.12 eV. 18 Our calculation shows that lower band gap polytypes have higher formation energy, which are more likely to form as temperature increases, resulting in the reduced band gap. As the temperature increases, the atomic correlation functions in the Ising model become close to 0, i.e., making the system more random.…”

Section: Resultssupporting

confidence: 56%

“…10,[12][13][14][15] This large variation of band structure as a function of atomic configuration, therefore, could be one of the reasons for the observed V OC deficit in this system, because the spatial fluctuation of the band edge states can reduce the effective band gap of the solar absorber. 7,[16][17][18] Therefore, the intrinsic properties of the multi-cation semiconductors can have a large influence on the design and device performance of these materials.…”

Section: Introductionmentioning

confidence: 99%

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Ordering-induced direct-to-indirect band gap transition in multication semiconductor compounds

et al. 2015

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Using first-principles calculations and symmetry analysis, we show that as cation atoms in a zincblende-based semiconductor are replaced through atomic mutation (e.g., evolve from ZnSe to CuGaSe 2 to Cu 2 ZnGeSe 4 ), the band gaps of the semiconductors will become more and more indirect because of the band splitting at the zone boundary, and in some cases will even form the segregating states. For example, although ZnSe is a direct band gap semiconductor, quaternary compounds Cu 2 ZnGeSe 4 and Cu 2 ZnSnSe 4 can be indirect band gap semiconductors if they form the primitive mixed CuAu ordered structures. We also find that the stability and the electronic structure of the quaternary polytypes with different atomic ordering are almost negative-linearly correlated. We suggest that these intrinsic properties of the multi-cation semiconductors can have a large influence on the design and device performance of these materials.2

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Section: Resultssupporting

confidence: 56%

Section: Resultssupporting

confidence: 56%

Section: Introductionmentioning

confidence: 99%

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Ordering-induced direct-to-indirect band gap transition in multication semiconductor compounds

et al. 2015

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“…This change of the bandgap can be attributed to a small amount of ordering in the Cu-Zn planes of the kesterite structure. 30 As it is shown by Rey et al the ordering state of the device can also influence the doping and with that the collection. 31 However, the bandgap can vary by more than 110 meV for the ordered and disordered kesterite 30 and is hence expected to have only a minor effect for these samples.…”

Section: Vmentioning

confidence: 96%

“…12 After the etching, the precursor is annealed at 520 C for 30 H 2 /N 2 in a tube furnace to form the absorber layer. 5 This annealing process is referred to as the high temperature annealing process.…”

Section: Methodsmentioning

confidence: 99%

Impact of annealing on electrical properties of Cu2ZnSnSe4 absorber layers

Weiss

Redinger

Rey

et al. 2016

Journal of Applied Physics

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Reported growth processes for kesterite absorber layers generally rely on a sequential process including a final high temperature annealing step. However, the impact and details for this annealing process vary among literature reports and little is known on its impact on electrical properties of the absorber. We used kesterite absorber layers prepared by a high temperature coevaporation process to explicitly study the impact of two different annealing processes. From electrical characterization it is found that the annealing process incorporates a detrimental deep defect distribution. On the other hand, the doping density could be reduced leading to a better collection and a higher short circuit current density. The activation energy of the doping acceptor was studied with admittance spectroscopy and showed Meyer-Neldel behaviour. This indicates that the entropy significantly contributes to the activation energy. Published by AIP Publishing.

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Structural Properties

Adachi

2015

Earth‐Abundant Materials for Solar Cells

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The band gap of Cu2ZnSnSe4: Effect of order-disorder

Cited by 219 publications

References 25 publications

Ordering-induced direct-to-indirect band gap transition in multication semiconductor compounds

Ordering-induced direct-to-indirect band gap transition in multication semiconductor compounds

Impact of annealing on electrical properties of Cu2ZnSnSe4 absorber layers

Structural Properties

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