Growth and nonlinear properties of HgGa<sub>2</sub>S<sub>4</sub>

Badikov, V. V.; Matveev, I. N.; Pshenichnikov, S M; Rychik, O V; Trotsenko, N K; Ustinov, N. D.; Shcherbakov, S I

doi:10.1070/qe1980v010n10abeh010581

Cited by 23 publications

(6 citation statements)

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“…However, its high band gap (2.8 eV) and low absorption coefficient (0.1 cm -1 ) discard this compound as an optimal absorber for photovoltaic applications. 105,106 Considering all the work mentioned and notwithstanding the specific lack of experimental data for certain impurities, a general fair agreement has been found for those cases reported in the literature on modified chalcopyrites (predominantly at doping levels) and the results obtained in this work. Nevertheless, specific cases would require a more detailed analysis of the relative stability against alternative structures, particularly defect chalcopyrites.…”

Section: Disscusionsupporting

confidence: 87%

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Analysis of the Electronic Structure of Modified CuGaS₂ with Selected Substitutional Impurities: Prospects for Intermediate-Band Thin-Film Solar Cells Based on Cu-Containing Chalcopyrites

Tablero

Marrón

2010

J. Phys. Chem. C

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The electronic structure of modified CuGaS2, which belongs to the family of Cu-containing chalcopyrites, has been analyzed from first principles within the density functional theory. The chalcopyrite matrix has been modified by introducing a high concentration of atomic impurities that included transition metals and elements of group IVa at substitutional sites of the lattice host. For selected cases, an intermediate band has been found that potentially fulfills the requirements as stated for intermediate-band solar cell materials. Preliminary thermochemical estimations of the stability of the compounds proposed against eventual secondary phases in the form of binary chalcogenides have greatly simplified the general screening. Elements of groups VIIIb and IVa have been identified as interesting impurity candidates to obtain intermediate bands within the main gap of the modified ternary host. Additionally, modified chalcopyrite compounds with potential applications as magnetic semiconductors or spintronic materials have been identified. The transformation of chalcopyrite compounds as used for thin-film solar cells into intermediate-band materials could have a particular impact on the design of thin-film intermediate-band solar cells, with improved figures of energy conversion efficiency expected.

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Section: Disscusionsupporting

confidence: 87%

“…Concerning Hg-containing chalcogenides, HgGa 2 S 4 is a negative uniaxial crystal that has been proposed for nonlinear optical applications and frequency-conversion generators. However, its high band gap (2.8 eV) and low absorption coefficient (0.1 cm −1 ) discard this compound as an optimal absorber for photovoltaic applications. , …”

Section: Disscusionmentioning

confidence: 99%

Analysis of the Electronic Structure of Modified CuGaS₂ with Selected Substitutional Impurities: Prospects for Intermediate-Band Thin-Film Solar Cells Based on Cu-Containing Chalcopyrites

Tablero

Marrón

2010

J. Phys. Chem. C

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“…Their conversion efficiency is more than two times larger than that of silver thiogallate . HGS shows a very large effective second order susceptibility coefficients (in particularly, tensor component d 36 which is approximately 1.8 times that of AgGaS 2 , i.e. about 34 pm/V).…”

Section: Introductionmentioning

confidence: 98%

“…It was first synthesized in powder form by Hahn et al HGS crystals are characterized with high nonlinear susceptibility coefficients, wide transparency range (from 0.5 to 13 μm), and considerable birefringence . The large birefringence ensures phase matching in a wide frequency range. , HGS is considered to be very promising for operating in the mid-IR spectral range , because of their superior nonlinearity and damage threshold. It can be used for mid-IR parametric oscillator with Nd:YAG laser pumping.…”

Section: Introductionmentioning

confidence: 99%

X-ray Photoelectron Spectrum and Electronic Properties of a Noncentrosymmetric Chalcopyrite Compound HgGa₂S₄: LDA, GGA, and EV-GGA

et al. 2009

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An all electron full potential linearized augmented plane wave method has been applied for a theoretical study of the band structure, density of states, and electron charge density of a noncentrosymmetric chalcopyrite compound HgGa(2)S(4) using three different approximations for the exchange correlation potential. Our calculations show that the valence band maximum (VBM) and conduction band minimum (CBM) are located at Gamma resulting in a direct energy gap of about 2.0, 2.2, and 2.8 eV for local density approximation (LDA), generalized gradient approximation (GGA), and Engel-Vosko (EVGGA) compared to the experimental value of 2.84 eV. We notice that EVGGA shows excellent agreement with the experimental data. This agreement is attributed to the fact that the Engel-Vosko GGA formalism optimizes the corresponding potential for band structure calculations. We make a detailed comparison of the density of states deduced from the X-ray photoelectron spectra with our calculations. We find that there is a strong covalent bond between the Hg and S atoms and Ga and S atoms. The Hg-Hg, Ga-Ga, and S-S bonds are found to be weaker than the Hg-S and Ga-S bonds showing that a covalent bond exists between Hg and S atoms and Ga and S atoms.

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“…Large frequencies and small amplitudes of the change in T d , once properly chosen, can control the growth of the best seeds, while reducing and even eliminating a faulty growth. High optical quality A II B III 2 X VI 4 single crystals, particularly of CdGa 2 S 4 , have been also grown by the vertical Bridgman method [37,38]. A schematic of the synthesis setup with a two-zone horizontal rocking furnace is shown in Fig.…”

Section: Crystal Growthmentioning

confidence: 99%

Relation of $$\mathrm{A}^{\mathrm{II}}\mathrm{B}^{\mathrm{III}}_{2}\mathrm{X}^{\mathrm{VI}}_{4}$$ Compounds to Other Materials, Their Properties and Applications (Instead of Introduction)

Ursaki

Tiginyanu

2014

Pressure-Induced Phase Transitions in AB2X4 Chalcogenide Compounds

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This chapter provides a review of A II B III 2 X VI 4 compounds as a class of materials in a wide family of ternary compounds. The origin and the place of these materials in the hierarchy of ternary compounds are presented. The technological methods for the growth of these compounds are analyzed and the procedures for obtaining larger crystals for practical applications are evidenced. The crystal structure and the energy band structure are discussed in terms of the production of spinel, layered, or tetragonal structure according to the number of octahedral and tetrahedral cationic sites. The "ordered-vacancy compounds" are analyzed taking into account different degrees of possible disorder. The relationship of the electronic band structures of these compounds with the band structure of their parent chalcopyrite compounds A I B III X VI 2 and their grand parent A II B VI compounds is clarified. The influence of the crystallographic structure upon the energy band structure is evidenced by comparing crystal modifications with different space groups. Optical, radiative, and vibrational properties are discussed and the energy level scheme explaining the extrinsic optical properties of A II B III 2 X VI 4 semiconductors is presented. It is shown that a source of interest in A II B III 2 X VI 4 compounds is their crystal structures derived from the diamond type, but modified to accommodate three or more atoms of different sizes, allowing additional symmetries and thus an increase in the selection of electro-optic, acousto-optic, and non-linear materials for device applications. Another source of interest related to the variety of A II B III 2 X VI 4 crystal structures comes from their importance for the investigation of the role of structure and composition in a response to the applied pressure.

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Growth and nonlinear properties of HgGa₂S₄

Cited by 23 publications

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Analysis of the Electronic Structure of Modified CuGaS₂ with Selected Substitutional Impurities: Prospects for Intermediate-Band Thin-Film Solar Cells Based on Cu-Containing Chalcopyrites

Analysis of the Electronic Structure of Modified CuGaS₂ with Selected Substitutional Impurities: Prospects for Intermediate-Band Thin-Film Solar Cells Based on Cu-Containing Chalcopyrites

X-ray Photoelectron Spectrum and Electronic Properties of a Noncentrosymmetric Chalcopyrite Compound HgGa₂S₄: LDA, GGA, and EV-GGA

Relation of $$\mathrm{A}^{\mathrm{II}}\mathrm{B}^{\mathrm{III}}_{2}\mathrm{X}^{\mathrm{VI}}_{4}$$ Compounds to Other Materials, Their Properties and Applications (Instead of Introduction)

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Growth and nonlinear properties of HgGa2S4

Cited by 23 publications

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Analysis of the Electronic Structure of Modified CuGaS2 with Selected Substitutional Impurities: Prospects for Intermediate-Band Thin-Film Solar Cells Based on Cu-Containing Chalcopyrites

Analysis of the Electronic Structure of Modified CuGaS2 with Selected Substitutional Impurities: Prospects for Intermediate-Band Thin-Film Solar Cells Based on Cu-Containing Chalcopyrites

X-ray Photoelectron Spectrum and Electronic Properties of a Noncentrosymmetric Chalcopyrite Compound HgGa2S4: LDA, GGA, and EV-GGA

Relation of $$\mathrm{A}^{\mathrm{II}}\mathrm{B}^{\mathrm{III}}_{2}\mathrm{X}^{\mathrm{VI}}_{4}$$ Compounds to Other Materials, Their Properties and Applications (Instead of Introduction)

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Growth and nonlinear properties of HgGa₂S₄

Analysis of the Electronic Structure of Modified CuGaS₂ with Selected Substitutional Impurities: Prospects for Intermediate-Band Thin-Film Solar Cells Based on Cu-Containing Chalcopyrites

Analysis of the Electronic Structure of Modified CuGaS₂ with Selected Substitutional Impurities: Prospects for Intermediate-Band Thin-Film Solar Cells Based on Cu-Containing Chalcopyrites

X-ray Photoelectron Spectrum and Electronic Properties of a Noncentrosymmetric Chalcopyrite Compound HgGa₂S₄: LDA, GGA, and EV-GGA