Phases, morphology, and diffusion in CuInxGa1−xSe2 thin films

Marudachalam, M.; Birkmire, Robert W.; Hichri, Habib; Schultz, J. M.; Swartzlander, A. B.; Al‐Jassim, Mowafak

doi:10.1063/1.366122

Cited by 213 publications

(126 citation statements)

References 10 publications

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“…[5][6][7][8] These two cannot be practically disentangled in a compound such as CIGS where the cation-III-atoms compete for the same sublattice positions. In and Ga diffusion has been suggested to proceed in the cation sublattice via vacancies again due to variations in diffusivity with respect to the composition of the sample.…”

Section: Indium Mass Transportmentioning

confidence: 99%

“…In and Ga diffusion has been suggested to proceed in the cation sublattice via vacancies again due to variations in diffusivity with respect to the composition of the sample. 5,6,8 Interestingly, the activation energy for the interdiffusion of indium in single-crystal material has only been recorded in CuGaSe 2 (0.32 eV, Ref. 7) but not in CIS.…”

Section: Indium Mass Transportmentioning

confidence: 99%

“…12 However, extracting quantitative measures regarding self-diffusion from the experiments is not straightforward, and the studies can at most raise speculations of the dominant self-diffusion mechanisms in CIS: copper and indium diffusion have mostly been attributed to a vacancy-driven mechanism, 5,6,8,13 while selenium-related evidence is pointing towards an interstitial mechanism. 9 Results should always be interpreted taking into account the limitations imposed by the methodology used.…”

Section: Introductionmentioning

confidence: 99%

“…The diffusion phenomena occurring in chalcopyrite thin-film structures have been explored experimentally by measuring concentration profiles with methods such as secondary-ion mass spectroscopy (SIMS), [5][6][7] Auger electron spectroscopy (AES), 8 radioactive tracer technique (RTT), [9][10][11] and nuclear magnetic resonance (NMR). 12 However, extracting quantitative measures regarding self-diffusion from the experiments is not straightforward, and the studies can at most raise speculations of the dominant self-diffusion mechanisms in CIS: copper and indium diffusion have mostly been attributed to a vacancy-driven mechanism, 5,6,8,13 while selenium-related evidence is pointing towards an interstitial mechanism.…”

Section: Introductionmentioning

confidence: 99%

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Mass transport in CuInSe2 from first principles

Oikkonen

Ganchenkova

Seitsonen

et al. 2013

Journal of Applied Physics

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The wide scatter in experimental results has not allowed drawing solid conclusions on selfdiffusion in the chalcopyrite CuInSe2 (CIS). In this work, the defect-assisted mass transport mechanisms operating in CIS are clarified using first-principles calculations. We present how the stoichiometry of the material and temperature affect the dominant diffusion mechanisms. The most mobile species in CIS is shown to be copper, whose migration proceeds either via copper vacancies or interstitials. Both of these mass-mediating agents exist in the material abundantly and face rather low migration barriers (1.09 and 0.20 eV, respectively). Depending on chemical conditions, selenium mass transport relies either solely on selenium dumbbells, which diffuse with a barrier of 0.24 eV, or also on selenium vacancies whose diffusion is hindered by a migration barrier of 2.19 eV. Surprisingly, indium plays no role in long-range mass transport in CIS; instead, indium vacancies and interstitials participate in mechanisms that promote the formation of antisites on the cation sublattice. Our results help to understand how compositional inhomogeneities arise in CIS. The wide scatter in experimental results has not allowed drawing solid conclusions on self-diffusion in the chalcopyrite CuInSe 2 (CIS). In this work, the defect-assisted mass transport mechanisms operating in CIS are clarified using first-principles calculations. We present how the stoichiometry of the material and temperature affect the dominant diffusion mechanisms. The most mobile species in CIS is shown to be copper, whose migration proceeds either via copper vacancies or interstitials. Both of these mass-mediating agents exist in the material abundantly and face rather low migration barriers (1.09 and 0.20 eV, respectively). Depending on chemical conditions, selenium mass transport relies either solely on selenium dumbbells, which diffuse with a barrier of 0.24 eV, or also on selenium vacancies whose diffusion is hindered by a migration barrier of 2.19 eV. Surprisingly, indium plays no role in long-range mass transport in CIS; instead, indium vacancies and interstitials participate in mechanisms that promote the formation of antisites on the cation sublattice. Our results help to understand how compositional inhomogeneities arise in CIS. V C 2013 American Institute of Physics. [http://dx

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Section: Indium Mass Transportmentioning

confidence: 99%

Section: Indium Mass Transportmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Mass transport in CuInSe2 from first principles

Oikkonen

Ganchenkova

Seitsonen

et al. 2013

Journal of Applied Physics

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“…80 Annealing at high temperature in inert Ar atmosphere was identified to promote interdiffusion of In and Ga in segregated CIS and CGS phases, resulting in a homogeneous CIGS phase. 68 In industrial production, the processing time is a key factor for low-cost manufacturing and has led to the development of rapid thermal processes. 81 Fast heating rates are reported to inhibit binary compound formation and de-wetting of amorphous Se layers from layered elemental stacks.…”

Section: Selenization Of Precursor Materialsmentioning

confidence: 99%

Development of thin‐film Cu(In,Ga)Se₂and CdTe solar cells

Romeo¹,

Terheggen²,

Abou‐Ras³

et al. 2004

Progress in Photovoltaics

358

192

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Cu(In,Ga)Se2 and CdTe heterojunction solar cells grown on rigid (glass) or flexible foil substrates require p‐type absorber layers of optimum optoelectronic properties and n‐type wide‐bandgap partner layers to form the p–n junction. Transparent conducting oxide and specific metal layers are used for front and back electrical contacts. Efficiencies of solar cells depend on various deposition methods as they control the optoelectronic properties of the layers and interfaces. Certain treatments, such as addition of Na in Cu(In,Ga)Se2 and CdCl2 treatment of CdTe have a direct influence on the electronic properties of the absorber layers and efficiency of solar cells. Processes for the development of superstrate and substrate solar cells are reviewed. Copyright © 2004 John Wiley & Sons, Ltd.

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Detection of Crystalline Phases in CuInSe2 Films Grown by Selenisation Process

Reddy

Datta

Carter

2000

phys. stat. sol. (a)

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CuInSe 2 thin films have been prepared using a two-step process. The process involved the deposition of alternate layers of Cu and In onto molybdenum coated glass substrates using magnetron sputtering resulting in a Cu 11 In 9 precursor phase, free from inhomogeneous secondary phases, followed by annealing in an excess selenium environment at various temperatures ranging from 250 to 450 C to synthesis the compound. This method results in densely packed, randomly oriented polycrystalline CuInSe 2 films with the chalcopyrite crystal structure with grain size larger than 2.0 mm for annealing temperatures of 500 C. The layers annealed at 500 C showed nearly stoichiometric composition with a direct energy band gap of 1.01 eV.K. T. Ramakrishna Reddy et al. Fig. 3. X-ray diffraction profiles of single-phase CuInSe 2 layers

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Phases, morphology, and diffusion in CuInxGa1−xSe2 thin films

Cited by 213 publications

References 10 publications

Mass transport in CuInSe2 from first principles

Mass transport in CuInSe2 from first principles

Development of thin‐film Cu(In,Ga)Se₂and CdTe solar cells

Detection of Crystalline Phases in CuInSe2 Films Grown by Selenisation Process

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Phases, morphology, and diffusion in CuInxGa1−xSe2 thin films

Cited by 213 publications

References 10 publications

Mass transport in CuInSe2 from first principles

Mass transport in CuInSe2 from first principles

Development of thin‐film Cu(In,Ga)Se2and CdTe solar cells

Detection of Crystalline Phases in CuInSe2 Films Grown by Selenisation Process

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Product

Resources

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Development of thin‐film Cu(In,Ga)Se₂and CdTe solar cells