Band gap tuning from an indirect EuGa2S4 to a direct EuZnGeS4 semiconductor: syntheses, crystal and electronic structures, and optical properties

Yang, Chi; Guo, Sheng‐Ping; Xue, Huaiguo

doi:10.1039/c6ra25283d

Cited by 15 publications

(3 citation statements)

References 45 publications

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“…In addition, the valence states of Eu, Hg, Ge/Sn and Se/S atoms are, as expected, +2, +2, +4, and −2, respectively, calculated by bond-valence theory (Tables S1 and S2). In terms of a chemical point, the two compounds are the members of the family M II M′ II M IV Q 4 (M II = Ba, Sr, Eu; M′ II = Zn, Cd, Hg; M IV = Si, Ge, Sn; Q = S, Se). ,,,− Up to now, a total of 24 compounds have been reported, crystallizing in four different space groups with five structure types (BaZnSiSe 4 type and SrCdGeS 4 type in Ama 2, BaCdSnS 4 type in Fdd 2, α-BaHgSnS 4 type in Pnn 2, and EuGa 2 S 4 type in Fddd ). EuHgGeSe 4 and EuHgSnS 4 belong to SrCdGeS 4 -type compounds according to the structure analysis.…”

Section: Resultsmentioning

confidence: 99%

EuHgGeSe₄ and EuHgSnS₄: Two Quaternary Eu-Based Infrared Nonlinear Optical Materials with Strong Second-Harmonic-Generation Responses

et al. 2020

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Metal chalcogenides play a critical role in the infrared (IR) nonlinear optical (NLO) field. However, Eu-based chalcogenide-type IR NLO materials are still scarce up to now. In this paper, two new quaternary Eu-based chalcogenides, EuHgGeSe4 and EuHgSnS4, containing the “NLO active groups” [HgQ4]6– (Q = S, Se) and [GeSe4]4–/[SnS4]4– were synthesized through traditional high-temperature solid-state reactions. They possess noncentrosymmetric structures, crystallizing in the Ama2 space group, and exhibit strong phase-matchable second-harmonic-generation (SHG) responses (3.1× and 1.77× that of AgGaS2 for EuHgGeSe4 and EuHgSnS4, respectively). Meanwhile, the optical band gaps of EuHgGeSe4 (1.97 eV) and EuHgSnS4 (2.14 eV) were determined from UV–vis–NIR diffuse reflectance spectra. Differential scanning calorimetry (DSC) analyses reveal the congruent-melting behavior of EuHgGeSe4. Furthermore, structural analysis and theoretical calculations verify the critical driving effects of [HgQ4]6– tetrahedra on the strong SHG activity. The overall results demonstrate that EuHgGeSe4 and EuHgSnS4 are potential IR NLO materials.

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Section: Resultsmentioning

confidence: 99%

EuHgGeSe₄ and EuHgSnS₄: Two Quaternary Eu-Based Infrared Nonlinear Optical Materials with Strong Second-Harmonic-Generation Responses

et al. 2020

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“…In many cases, these elements (denoted M hereafter) can substitute for each other. 7 Focusing on M−In−Se compounds, a family of chalcogenides with the formula M 8-m In 18-n Q 34 (M = Pb, Sn; Q = S, Se; 0 ≤ m, n ≤ 1 and 2m + 3n = 2) have attracted our attention due to their adjustable structures. When M is Pb or Sn, orthorhombic Pb 8 In 18 S 34 , 8 Sn 7 In 18 S 34 , 9 and Pb 7.12 In 18.88 Se 34 10 can be available.…”

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confidence: 99%

“…Among rare-earth metals, Eu(II) is special as it has similar ionic radius and coordination preference with alkali-earth metal, Pb, and Sn(II). In many cases, these elements (denoted M hereafter) can substitute for each other …”

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confidence: 99%

Transition Metal Free Monoclinic Eu₈In_17.33S₃₄ and Its Anisotropic Photoelectronic Responses

et al. 2019

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Novel Eu8In17.33S34 (1) is obtained by a solid state reaction and its structure features three parallel slabs of [In9.33S18]∞, [Eu8]∞, and [In8S16]∞, together with defects in specific lattice sites. It is the first monoclinic ternary M 8‑m In18‑n Q 34 (M = Pb, Sn, Eu; Q = S, Se) phase member, and the modulation from the ultralong In–S bond and lattice site with strong antibonding effect results in the unique structure feature. Its single crystals show anisotropic conductivity and photoconductivity.

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Advanced Computational Insights Into the Optical, Electronic, and Thermoelectric Characteristics of Novel Rare‐Earth Ternary Chalcogenides

Mohamed,

Abbas

2024

Int J of Quantum Chemistry

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Rare‐earth ternary materials are distinguished by their tunable optoelectronic characteristics and high thermal stability. First principles computations examine the intricate interaction of novel rare‐earth‐based ternary chalcogenide's electronic, optical, and thermoelectric properties. The spin‐down channel of PrHSe exhibits a substantial energy gap resulting in half‐metallic behavior. The f orbitals of Pr and Er play an important role in forming bonds with Se and H atoms, contributing significantly to the valence band. The preponderance of Pr‐f and Er‐f orbitals near the top of the valence band indicate that electrons in these orbitals are the most energetic and participate in bonding interactions within these materials. The ErHSe has a greater absorption rate than PrHSe, and both materials behave isotropically in the xx and zz directions. The highest peaks of the reflection coefficient (50%–70%) in the 1.0–13.8 eV range suggested a significant level of UV reflectivity. The PrHSe has a higher intrinsic carrier concentration for conduction than ErHSe. At lower temperatures, carrier concentrations increase due to thermal activation processes, improving the Seebeck coefficient in these materials.

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Band gap tuning from an indirect EuGa₂S₄ to a direct EuZnGeS₄ semiconductor: syntheses, crystal and electronic structures, and optical properties

Abstract: Novel EuZnGeS4, with a direct band gap, can be obtained via simple substitution from EuGa2S4, with an indirect band gap.

Cited by 15 publications

References 45 publications

EuHgGeSe₄ and EuHgSnS₄: Two Quaternary Eu-Based Infrared Nonlinear Optical Materials with Strong Second-Harmonic-Generation Responses

EuHgGeSe₄ and EuHgSnS₄: Two Quaternary Eu-Based Infrared Nonlinear Optical Materials with Strong Second-Harmonic-Generation Responses

Transition Metal Free Monoclinic Eu₈In_17.33S₃₄ and Its Anisotropic Photoelectronic Responses

Advanced Computational Insights Into the Optical, Electronic, and Thermoelectric Characteristics of Novel Rare‐Earth Ternary Chalcogenides

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Band gap tuning from an indirect EuGa2S4 to a direct EuZnGeS4 semiconductor: syntheses, crystal and electronic structures, and optical properties

Abstract: Novel EuZnGeS4, with a direct band gap, can be obtained via simple substitution from EuGa2S4, with an indirect band gap.

Cited by 15 publications

References 45 publications

EuHgGeSe4 and EuHgSnS4: Two Quaternary Eu-Based Infrared Nonlinear Optical Materials with Strong Second-Harmonic-Generation Responses

EuHgGeSe4 and EuHgSnS4: Two Quaternary Eu-Based Infrared Nonlinear Optical Materials with Strong Second-Harmonic-Generation Responses

Transition Metal Free Monoclinic Eu8In17.33S34 and Its Anisotropic Photoelectronic Responses

Advanced Computational Insights Into the Optical, Electronic, and Thermoelectric Characteristics of Novel Rare‐Earth Ternary Chalcogenides

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Band gap tuning from an indirect EuGa₂S₄ to a direct EuZnGeS₄ semiconductor: syntheses, crystal and electronic structures, and optical properties

EuHgGeSe₄ and EuHgSnS₄: Two Quaternary Eu-Based Infrared Nonlinear Optical Materials with Strong Second-Harmonic-Generation Responses

EuHgGeSe₄ and EuHgSnS₄: Two Quaternary Eu-Based Infrared Nonlinear Optical Materials with Strong Second-Harmonic-Generation Responses

Transition Metal Free Monoclinic Eu₈In_17.33S₃₄ and Its Anisotropic Photoelectronic Responses