Electronic energy band parameters of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>CuInS</mml:mi><mml:msub><mml:mi mathvariant="normal">e</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math>: Landau levels in magnetotransmission spectra

Yakushev, М. V.; Rodina, A. V.; Seĭsyan, R. P.; Kitaev, Yu. É.; Vaganov, S. A.; Абдуллаев, М. А.; Мудрый, А. В.; Кузнецова, Т. В.; Faugeras, C.; Martin, Robert

doi:10.1103/physrevb.100.235202

Cited by 3 publications

(2 citation statements)

References 25 publications

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“…The electron effective mass in CuInSe 2 m * e = 0.09m 0 [21] (where m 0 is the free electron mass) is much smaller than that of the hole mass m * h = 0.7m 0 [22]. Therefore, wave-functions of donor-like defects can already overlap at quite low concentrations making this material highly doped in terms of donors whereas the concentration of acceptors can still be much below the limit necessary for highly doped semiconductors in terms of acceptors [16].…”

Section: Discussionmentioning

confidence: 99%

Irradiation of Cu(In, Ga)Se-=SUB=-2-=/SUB=- Thin Films by 10 MeV Electrons at 77 K: Effect on Photoluminescence Spectra

et al. 2022

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Thin films of Cu(In, Ga)Se2 on Mo/glass were irradiated by 10 MeV electrons at 77 K and examined by photoluminescence at 77 K before and after irradiation without warming the samples as well as after warming to 300 K. The photoluminescence spectra revealed a broad band constituting 3 merged peaks (P1, P2, P3) assigned to: band-to-band recombination (P1) and recombination of free electrons with holes localised at acceptors influenced by the valence band tail (P2, P3). Irradiation reduced the intensity of the peaks due to deep traps generated by electrons and anomalously reduced the degree of compensation of the material. Keywords: thin films, irradiation, photoluminescence, recombination, band-to-band.

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Section: Discussionmentioning

confidence: 99%

Irradiation of Cu(In, Ga)Se-=SUB=-2-=/SUB=- Thin Films by 10 MeV Electrons at 77 K: Effect on Photoluminescence Spectra

et al. 2022

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“…One may note that the u parameter depends on the inverse of the square of the lattice parameter a via equation (3). Here, we consider the experimental lattice parameters (a = 5.523 Å and c = 11.12 Å for CuInS 2 [72]; a = 5.78 Å and c = 11.62 Å for CuInSe 2 [73]) for the calculation of u vs bandgap variation. The atomic coordinates are taken from the reference [74].…”

Section: Band Structuresmentioning

confidence: 99%

Improved electronic structure prediction of chalcopyrite semiconductors from a semilocal density functional based on Pauli kinetic energy enhancement factor

Ghosh¹,

Jana²,

Niranjan³

et al. 2021

J. Phys.: Condens. Matter

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The correct treatment of d electrons is of prime importance in order to predict the electronic properties of the prototype chalcopyrite semiconductors. The effect of d states is linked with the anion displacement parameter u, which in turn influences the bandgap of these systems. Semilocal exchange–correlation functionals which yield good structural properties of semiconductors and insulators often fail to predict reasonable u because of the underestimation of the bandgaps arising from the strong interplay between d electrons. In the present study, we show that the meta-generalized gradient approximation (meta-GGA) obtained from the cuspless hydrogen density (MGGAC) (2019 Phys. Rev. B 100 155140) performs in an improved manner in apprehending the key features of the electronic properties of chalcopyrites, and its bandgaps are comparative to that obtained using state-of-art hybrid methods. Moreover, the present assessment also shows the importance of the Pauli kinetic energy enhancement factor, α = (τ − τ W )/τ unif in describing the d electrons in chalcopyrites. The present study strongly suggests that the MGGAC functional within semilocal approximations can be a better and preferred choice to study the chalcopyrites and other solid-state systems due to its superior performance and significantly low computational cost.

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Temperature Dependence of Optical Reflection Spectra of Cuinse2 Single Crystals with the Chalcopyrite Structure

Borodavchenko,

Zhivulko,

Myalik

et al. 2024

J Appl Spectrosc

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Electronic energy band parameters ofCuInSe2: Landau levels in magnetotransmission spectra

Cited by 3 publications

References 25 publications

Irradiation of Cu(In, Ga)Se-=SUB=-2-=/SUB=- Thin Films by 10 MeV Electrons at 77 K: Effect on Photoluminescence Spectra

Irradiation of Cu(In, Ga)Se-=SUB=-2-=/SUB=- Thin Films by 10 MeV Electrons at 77 K: Effect on Photoluminescence Spectra

Improved electronic structure prediction of chalcopyrite semiconductors from a semilocal density functional based on Pauli kinetic energy enhancement factor

Temperature Dependence of Optical Reflection Spectra of Cuinse2 Single Crystals with the Chalcopyrite Structure

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