Electronic band structure of In2S3 and CdIn2S4 semiconductor spinels from the data of x-ray spectroscopy and theoretical calculations

Lavrent’ev, A. A.; Safontseva, N. Yu.; Dubeiko, V. A.; Gabrel′yan, B. V.; Nikiforov, I. Ya.

doi:10.1134/1.1324038

Cited by 15 publications

(10 citation statements)

References 20 publications

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“…[32][33][34][35] Considering the position of the UVvis onsets estimated as the step median, 357 and 341 nm in Figures 1 and 2, the band-gap becomes equal to E g ) 3.5 eV and E g ) 3.6 eV for TG-and AMTP-stabilized NPs, respectively, which indicates the strong quantum confinement of the excitonic transition expected for In 2 S 3 NPs. 36 The position of the adsorption bands correlates well with the UV-vis characteristics of In 2 S 3 specimens prepared by other groups using polymers or in physically constrained media. [37][38][39][40] Indium sulfide NPs stabilized with TG or AMPT can be easily separated from the synthetic liquor by sedimentation with 2-propanol and then redispersed in many polar solvents.…”

Section: Resultsmentioning

confidence: 85%

In₂S₃ Nanocolloids with Excitonic Emission: In₂S₃ vs CdS Comparative Study of Optical and Structural Characteristics

et al. 2001

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Stable aqueous colloids of 2-3 nm In 2 S 3 nanocrystals have been prepared by using the classical method of nanoparticle stabilization by low molecular weight thiols. TEM crystal lattice spacing, X-ray diffraction, EDAX data, and electron diffraction indicate that the nanoparticles are predominantly in -In 2 S 3 form. They exhibit relatively strong excitonic emission at 360-380 nm with a quantum yield of 1.5%. The excitonic radiative lifetime is 350 ns, which indicates that a direct allowed electronic transition is responsible for this emission. The NMR lines of the stabilizer are strongly broadened and shifted as a result of deshielding induced by electron withdrawing by positively charged metal ions. This effect quickly wears off as the carbon chain becomes longer and the separation between the hydrogen atoms of the stabilizer and the semiconductor surface increases. The broadening is attributed to the reduced mobility of the stabilizer in the nanoparticle shell. For CdS nanoparticles of the same size, this effect was found to be substantially stronger than for In 2 S 3 . The lower density of metal centers in In 2 S 3 than in CdS, which serve as anchor points for the stabilizer, promotes greater mobility of the stabilizer moieties.

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Section: Resultsmentioning

confidence: 85%

In₂S₃ Nanocolloids with Excitonic Emission: In₂S₃ vs CdS Comparative Study of Optical and Structural Characteristics

et al. 2001

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“…Because the In-5d states are filled completely with electrons that belong to the closed-shell, they exhibit obvious localized state features (deep energy levels and sharp DOS peaks under the valence band, À14~À12 eV, which is not shown here) in the electronic structure of b-In 2 S 3 . [10,[26][27][28]38] Another important feature can be found in Figure 3. Thus, we did not show them in Figure 2 and Figure 3.…”

Section: Electronic Structurementioning

confidence: 97%

Band‐Edge Electronic Structure of β‐In₂S₃: The Role of s or p Orbitals of Atoms at Different Lattice Positions

Zhao

Cao

et al. 2012

ChemPhysChem

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As a promising solar-energy material, the electronic structure and optical properties of Beta phase indium sulfide (β-In(2)S(3)) are still not thoroughly understood. This paper devotes to solve these issues using density functional theory calculations. β-In(2)S(3) is found to be an indirect band gap semiconductor. The roles of its atoms at different lattice positions are not exactly identical because of the unique crystal structure. Additonally, a significant phenomenon of optical anisotropy was observed near the absorption edge. Owing to the low coordination numbers of the In3 and S2 atoms, the corresponding In3-5s states and S2-3p states are crucial for the composition of the band-edge electronic structure, leading to special optical properties and excellent optoelectronic performances.

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“…These results can be compared to previous studies on In 2 S 3 . 26,31,32 The In 2 S 3 XPS VB shows the same structures than the presently studied NaIn 5 S 8 , and the band structure calculations lead to the same assignments for both compounds.…”

Section: B Valence Bandmentioning

confidence: 51%

“…This band behaves as an outer core state and does not participate in the bonding. [30][31][32] The position of the In 4d 5/2 is 18.5Ϯ 0.1 eV for all compounds. Likewise in order to compare the valence-band shapes, all of the spectra were normalized relatively to In 4d core level.…”

Section: B Valence Bandmentioning

confidence: 92%

Electronic structure ofNaxCu1−xIn5S8compoun

et al. 2008

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The aim of the present work is to complete a preliminary study concerning the electronic band structure investigations of Na x Cu 1−x In 5 S 8 compounds with 0 Յ x Յ 1, which are expected to be formed at the Cu͑In, Ga͒Se 2 / In 2 S 3 interface. The band structure calculations demonstrate that for the compounds containing both Na and Cu, as the Cu content increases the band gap tends to decrease, and x-ray photoemission spectroscopy measurements show that this variation is mainly due to valence-band-maximum shift along the solid solution. The band gap strongly depends on the nature of the monovalent cation, and the band structure calculations demonstrate that the d electrons of copper are responsible for the shift of the valence band. In addition, it is worth noting that the Cu-containing compounds have indirect gaps.

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Electronic band structure of In2S3 and CdIn2S4 semiconductor spinels from the data of x-ray spectroscopy and theoretical calculations

Cited by 15 publications

References 20 publications

In₂S₃ Nanocolloids with Excitonic Emission: In₂S₃ vs CdS Comparative Study of Optical and Structural Characteristics

In₂S₃ Nanocolloids with Excitonic Emission: In₂S₃ vs CdS Comparative Study of Optical and Structural Characteristics

Band‐Edge Electronic Structure of β‐In₂S₃: The Role of s or p Orbitals of Atoms at Different Lattice Positions

Electronic structure ofNaxCu1−xIn5S8compoun

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Electronic band structure of In2S3 and CdIn2S4 semiconductor spinels from the data of x-ray spectroscopy and theoretical calculations

Cited by 15 publications

References 20 publications

In2S3 Nanocolloids with Excitonic Emission: In2S3 vs CdS Comparative Study of Optical and Structural Characteristics

In2S3 Nanocolloids with Excitonic Emission: In2S3 vs CdS Comparative Study of Optical and Structural Characteristics

Band‐Edge Electronic Structure of β‐In2S3: The Role of s or p Orbitals of Atoms at Different Lattice Positions

Electronic structure ofNaxCu1−xIn5S8compoun

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In₂S₃ Nanocolloids with Excitonic Emission: In₂S₃ vs CdS Comparative Study of Optical and Structural Characteristics

In₂S₃ Nanocolloids with Excitonic Emission: In₂S₃ vs CdS Comparative Study of Optical and Structural Characteristics

Band‐Edge Electronic Structure of β‐In₂S₃: The Role of s or p Orbitals of Atoms at Different Lattice Positions