Do we really need another PL study of CuInSe
            <sub>2</sub>
            ?

Siebentritt, Susanne; Rega, N.; Zajogin, A.P.; Lux‐Steiner, Martha Ch.

doi:10.1002/pssc.200404845

Cited by 65 publications

(76 citation statements)

References 24 publications

(28 reference statements)

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“…PL studies of Cu-rich CIS absorbers find three different energies for the doping defects in CIS. A ∼ 10 meV donor and additional to that three acceptor levels: for near stoichiometry one with an E A of 40 meV (labelled 'A1'), for Cu-rich of 60 meV ('A2') [21] and a third one at 100 meV independent of Cu-excess ('A3' in [22]). These are well within the measured energy range, the best explanation of step 2 therefore might be the freeze-out of either 'A2', 'A3', or both together.…”

Section: Measurement Resultsmentioning

confidence: 99%

Electrical Characterization of Defects in Cu-Rich Grown CuInSe₂Solar Cells

Bertram

Deprédurand

Siebentritt

2016

IEEE J. Photovoltaics

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Abstract-We study defects in CuInSe 2 (CIS) grown under Cu-excess. Samples with different Cu/In and Se/metals flux ratios were characterized by thermal admittance spectroscopy (TAS), capacitance-voltage measurements (CV) and temperature dependent current voltage measurements (IVT). All samples showed two different capacitance responses, which we attribute to defects with energies around 100 and 220 meV. Plus the beginning of an additional step that we attribute to a freeze-out effect. By application of the Meyer-Neldel rule, the parameters of the two defects can be assigned to two different groups, both lying within the energy region of the so-called 'N1-defect' that has been observed for Cu-poor absorbers.

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Section: Measurement Resultsmentioning

confidence: 99%

Electrical Characterization of Defects in Cu-Rich Grown CuInSe₂Solar Cells

Bertram

Deprédurand

Siebentritt

2016

IEEE J. Photovoltaics

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“…Data from sample IEC-1 is further analyzed in the following and is shown in Figure 2 Above 40 K, there is a slight redshift (~0.4-0.7 meV/10 K) in peak positions with increasing temperature, possibly due to thermal expansion. Typically, a donor-acceptor pair (DAP) emission will become a free-to-bound (FB) emission as temperature increases because the shallower of the two defects involved in the DAP emission will thermally empty [22]. This is normally marked by a noticeable blueshift in the peaks.…”

Section: Resultsmentioning

confidence: 99%

Photoluminescence and Photoluminescence Excitation Spectroscopy of Cu(In,Ga)Se₂Thin Films

2009

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The role of intrinsic point defects on radiative recombination in Cu(In,Ga)Se 2 thin films was investigated by photoluminescence (PL) and photoluminescence excitation (PLE) spectroscopies. Experiments were performed on device-grade polycrystalline layers and single crystal thin films. PL transitions identified by others as indicating a shallow state with an ionization energy of ~16 meV is proposed to be a transition into band tail states rather than a distinct shallow defect.

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“…Compositiondependent PL measurements and Hall measurements have been performed on chalcopyrite CIGSe by Siebentritt et al [4,5] For example, close to the stoichiometric compound, PL measurements showed three acceptor levels with ionization energies of 40, 60, and 100 meV above the valence band maximum (VBM) and one donor level 10 meV below the conduction band minimum (CBM). [4] The intensities of these three peaks vary,…”

Section: Introductionmentioning

confidence: 99%

First‐Principles Modeling of Point Defects and Complexes in Thin‐Film Solar‐Cell Absorber CuInSe₂

Malitckaya

Komsa

Havu

et al. 2017

Adv Elect Materials

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as the composition of the sample changes from Cu-rich to Cu-poor, so that in the Cupoor samples only one peak is detected. Although only the Cu-poor material is important for actual devices Cu-rich samples give indispensable information for defect identification.First-principles calculations based on the density functional theory (DFT) can be used to obtain important, complementary information about point defects such as formation energies and charge transition levels. [6] A plethora of studies concerning defects in CuInSe 2 and CuGaSe 2 has been published over the last two decades. [7][8][9][10][11][12][13] The most recent DFT investigations have employed hybrid functionals, which can overcome the energy band gap problem plaguing the older studies and can thus also provide information about the defect level positions within the band gap. [9][10][11][12][13] The results of different calculations agree well with respect to general trends in formation energies of the most important defects, such as the copper vacancy (V Cu ), indium antisite on copper place (In Cu ), and copper interstitial (Cu int ). However, the results differ in some important cases. For instance, there are clearly different values for the ionization levels within the band gap for the copper antisite on the indium place (Cu In ) and indium vacancy (V In ). Based on the formation energy calculations, V Cu and Cu In are abundant acceptors, and are most probably responsible for some of the above-mentioned PL peaks, but it is unclear whether any native defect can be responsible for the third acceptor level.One important goal of the present work was to gain a perspective on the present unsatisfactory situation in modeling point defects in CIGSe and to approach the ultimate accuracy by which DFT is able to predict the properties of bulk crystalline materials. [14] First we carried out a detailed benchmarking of the first-principles computational scheme used. We checked effects due to the supercell size and shape, as well as those of the finite-size supercell correction scheme. We used also two very different implementations of the first-principles DFT method, which differ in describing valence-core electron interaction and electron wave functions (see below). After finding the computational parameters yielding accurate results, we calculated formation energies and charge transition levels for different acceptor candidates in CuInSe 2 . By carefully considering the relevant chemical potential limits, we were able to draw conclusions about the abundances of different defects. In addition to simple native defects, we have also considered a set of complexes formed by them. Our paper is organized as follows.

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Do we really need another PL study of CuInSe ₂ ?

Cited by 65 publications

References 24 publications

Electrical Characterization of Defects in Cu-Rich Grown CuInSe₂Solar Cells

Electrical Characterization of Defects in Cu-Rich Grown CuInSe₂Solar Cells

Photoluminescence and Photoluminescence Excitation Spectroscopy of Cu(In,Ga)Se₂Thin Films

First‐Principles Modeling of Point Defects and Complexes in Thin‐Film Solar‐Cell Absorber CuInSe₂

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Do we really need another PL study of CuInSe 2 ?

Cited by 65 publications

References 24 publications

Electrical Characterization of Defects in Cu-Rich Grown CuInSe2Solar Cells

Electrical Characterization of Defects in Cu-Rich Grown CuInSe2Solar Cells

Photoluminescence and Photoluminescence Excitation Spectroscopy of Cu(In,Ga)Se2Thin Films

First‐Principles Modeling of Point Defects and Complexes in Thin‐Film Solar‐Cell Absorber CuInSe2

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Do we really need another PL study of CuInSe ₂ ?

Electrical Characterization of Defects in Cu-Rich Grown CuInSe₂Solar Cells

Electrical Characterization of Defects in Cu-Rich Grown CuInSe₂Solar Cells

Photoluminescence and Photoluminescence Excitation Spectroscopy of Cu(In,Ga)Se₂Thin Films

First‐Principles Modeling of Point Defects and Complexes in Thin‐Film Solar‐Cell Absorber CuInSe₂