Measurement of InP/In0.53Ga0.47As and In0.53Ga0.47As/In0.52Al0.48As heterojunction band offsets by x-ray photoemission spectroscopy

Waldrop, J. R.; Kraut, E. A.; Farley, C. W.; Grant, R. W.

doi:10.1063/1.347724

Cited by 62 publications

(8 citation statements)

References 33 publications

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“…The binding energy of the P-In bulk photoemission component is 128.9 AE 0.05 eV. As the binding energy of the P-In(2p 3/2 ) bulk component relative to the energy of the valence band maximum (E VBM ) of InP was reported to be 127.74 AE 0.03 eV, 33,34 the position of the surface Fermi level in the native-oxide-covered n-InP(100) can be calculated as E FS0 = E VBM + 1.16 eV. Therefore, the surface Fermi level lies below the conduction band minimum and thus the surface band bending can be estimated as 0.19 AE 0.05 eV.…”

Section: Resultsmentioning

confidence: 99%

Abnormal electronic structure of chemically modified n-InP(100) surfaces

et al. 2022

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Section: Resultsmentioning

confidence: 99%

Abnormal electronic structure of chemically modified n-InP(100) surfaces

et al. 2022

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“…The VBO of the CdS/CZTS interface was calculated by the Krauts formula, [31] as also shown in Figure 9b VBO ¼ ðE cl À E VB Þ absorber À ðE cl À E VB Þ buffer À ΔE cl (1) where E cl is the binding energy of a core level (Cu 2p or Zn 2p) in the absorber, E VB is the VBM of either the CZTS or CdS references measured by HAXPES, and ΔE cl is the energy difference between a core level in the absorber and a core level in the buffer measured for the CdS/CZTS samples. The first two terms give the relative binding energy difference between a core level and the VB in the absorber and buffer references, respectively.…”

Section: Electronic Structure Of the Buffer/absorber Interfacementioning

confidence: 99%

Passivation of CdS/Cu₂ZnSnS₄ Interface from Surface Treatments of Kesterite‐Based Thin‐Film Solar Cells

Martin

Platzer‐Björkman

Simonov

et al. 2020

Physica Status Solidi (b)

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Surface treatments of Cu2ZnSnS4 have shown a beneficial effect on the solar cells performance due to a reduction in the open‐circuit voltage (VOC) deficit. Several reasons have been suggested for the VOC deficit, including an unfavorable band alignment at the buffer/Cu2ZnSnS4 interface. Herein, the influence of Cu2ZnSnS4 surface treatment (air exposure and air anneal) on the electronic and chemical properties of Cu2ZnSnS4 and CdS/Cu2ZnSnS4 interfaces is investigated. Using hard X‐ray photoelectron spectroscopy, it is shown that the band alignment at the CdS/Cu2ZnSnS4 interface is not significantly altered by the applied surface treatment. The device enhancement is instead connected to interface passivation for the surface‐treated Cu2ZnSnS4 samples due to the formation of SnOx, which is shown to not be fully removed upon KCN etching prior to the buffer layer deposition. In addition, a surface treatment of the Cu2ZnSnS4 absorber prior to buffer layer deposition influences the growth of CdS buffer, as a thicker CdS‐overlayer is observed to grow on a surface‐treated Cu2ZnSnS4 sample as compared with a nontreated sample. This suggests that a reoptimization of the CdS thickness for a given Cu2ZnSnS4 surface treatment is required.

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“…The discontinuity in this reference potential across the heterostructure interface is defined as ∆V step . The valence 9 . f From Ref.…”

Section: Algaas Gaasmentioning

confidence: 99%

Band offsets of semiconductor heterostructures: A hybrid density functional study

Wadehra

Nicklas

Wilkins

2010

Applied Physics Letters

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We demonstrate the accuracy of the hybrid functional HSE06 for computing band offsets of semiconductor alloy heterostructures. The highlight of this study is the computation of conduction band offsets with a reliability that has eluded standard density functional theory. A high-quality special quasirandom structure models an infinite random pseudobinary alloy for constructing heterostructures along the (001) growth direction. Our excellent results for a variety of heterostructures establish HSE06's relevance to band engineering of high-performance electrical and optoelectronic devices.PACS numbers: 78.55.Cr Heterostructures are ubiquitous in semiconductor technology.For instance, AlInAs/InGaAs is used for quantum cascade lasers and infrared photodetectors; InGaP/AlGaAs for high electron mobility transistors (HEMTs), heterojunction bipolar transistors (HBTs), and phototransistors; AlInAs/InP for HEMTs; In-GaP/GaAs for HBTs; and InGaAs/InP for single-photon avalanche photodiodes and HBTs. Among the most important properties that determine the feasibility and performance of heterostructure devices are the band offsets. These are the discontinuities between the valence band maxima (VBM) or conduction bands minima (CBM) of each semiconductor at their common interface, and act as barriers to electrical transport across the interface. Band engineering of novel devices with desired properties, particularly quantum cascade lasers and quantum dot-based devices, critically require a precise knowledge of band offsets. However, reliable measurements and predictions of band offsets continue to be challenging despite extensive theoretical and experimental efforts. [1][2][3] Density functional theory (DFT) is an efficient method for calculating electronic structure. The accuracy of DFT calculations is controlled by the choice of exchangecorrelation (XC) functional. Local and semi-local functionals such as LDA (local density approximation) and PBE (Perdew-Burke-Ernzerhof) 4 fail to produce accurate bandgaps, and in extreme cases predict small gap semiconductors as metals. Hybrid XC functionals, that include a fraction of Hartree-Fock (HF) exchange, provide a promising alternative. In this letter, we determine the suitability of a hybrid functional HSE06 (Heyd-Scuseria-Ernzerhof) 5 to compute band offsets of several III-V compounds and pseudobinary alloy heterostructures. HSE06 includes a fraction, α, of screened, shortrange HF exchange to improve the derivative discontinuity of the Kohn-Sham potential for integer electron numbers (default HSE06 uses α=0.25). This functional was recently used to predict the band alignments throughout a) 1.52 (ind) 0.21 1.12 0.18 mod−HSE06 Experiment PBE 2.10 (ind) 0.27 0.31 1.52 2.19 (ind) 0.26 0.42 1.52 FIG. 1. Band alignments for Al0.5Ga0.5As/GaAs heterostructure computed with mod-HSE06 (α = 0.30, see text) and PBE, in comparison with experiment. 2 The direct and indirect bandgaps are shown for GaAs and Al0.5Ga0.5As, respectively. The hybrid functional shows significant improvement over PBE ...

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Measurement of InP/In0.53Ga0.47As and In0.53Ga0.47As/In0.52Al0.48As heterojunction band offsets by x-ray photoemission spectroscopy

Cited by 62 publications

References 33 publications

Abnormal electronic structure of chemically modified n-InP(100) surfaces

Abnormal electronic structure of chemically modified n-InP(100) surfaces

Passivation of CdS/Cu₂ZnSnS₄ Interface from Surface Treatments of Kesterite‐Based Thin‐Film Solar Cells

Band offsets of semiconductor heterostructures: A hybrid density functional study

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Measurement of InP/In0.53Ga0.47As and In0.53Ga0.47As/In0.52Al0.48As heterojunction band offsets by x-ray photoemission spectroscopy

Cited by 62 publications

References 33 publications

Abnormal electronic structure of chemically modified n-InP(100) surfaces

Abnormal electronic structure of chemically modified n-InP(100) surfaces

Passivation of CdS/Cu2ZnSnS4 Interface from Surface Treatments of Kesterite‐Based Thin‐Film Solar Cells

Band offsets of semiconductor heterostructures: A hybrid density functional study

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Passivation of CdS/Cu₂ZnSnS₄ Interface from Surface Treatments of Kesterite‐Based Thin‐Film Solar Cells