Cu2ZnSnS4 crystal growth using an SnCl2 based flux

Кох, К. А.; Atuchin, Victor V.; Adichtchev, S. V.; Гаврилова, Т. А.; Bakhadur, A. M.; Klimov, A. O.; Korolkov, Ilya V.; Kuratieva, Natalia V.; Mukherjee, Shaibal; Первухина, Н. В.; Суровцев, Н. В.

doi:10.1039/d0ce01264e

Cited by 11 publications

(6 citation statements)

References 49 publications

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“…As known, copper semi-selenide forms a solid solution region, described by the formula Cu 2−x Se [30,31]. The Cu 1.999 Se composition was chosen as the initial one, due to the precipitation of copper during the synthesis of the Cu 2 Se composition [30].…”

Section: Introductionmentioning

confidence: 99%

Synthesis, Structure, and Properties of EuLnCuSe3 (Ln = Nd, Sm, Gd, Er)

et al. 2021

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EuLnCuSe3 (Ln = Nd, Sm, Gd, Er), due to their complex composition, should be considered new materials with the ability to purposefully change the properties. Samples of the EuLnCuSe3 were prepared using Cu, rare earth metal, Se (99.99%) by the ampoule method. The samples were obtained by the crystallization from a melt and annealed at temperatures 1073 and 1273 K. The EuErCuSe3 crystal structure was established using the single-crystal particle. EuErCuSe3 crystallizes in the orthorhombic system, space group Cmcm, KCuZrS3 structure type, with cell parameters a = 4.0555 (3), b = 13.3570 (9), and c = 10.4602 (7) Å, V = 566.62 (6) Å3. In structure EuErCuSe3, erbium ions are coordinated by selenium ions in the octahedral polyhedron, copper ions are in the tetrahedral coordination, europium ions are between copper and erbium polyhedra layers and are coordinated by selenium ions as two-cap trigonal prisms. The optical band gap is 1.79 eV. At 4.7 K, a transition from the ferrimagnetic state to the paramagnetic state was detected in EuErCuSe3. At 85 and 293 K, the compound is in a paramagnetic state. According to XRPD data, EuLnCuSe3 (Ln = Nd, Sm, Gd) compounds have a Pnma orthorhombic space group of the Eu2CuS3 structure type. For EuSmCuSe3, a = 10.75704 (15) Å, b = 4.11120 (5) Å, c = 13.37778 (22) Å. In the series of EuLnCuSe3 compounds, the optical band gap increases 1.58 eV (Nd), 1.58 eV (Sm), 1.72 eV (Gd), 1.79 eV (Er), the microhardness of the 205 (Nd), 210 (Sm), 225 (Gd) 235 ± 4 HV (Er) phases increases, and the thermal stability of the phases increases significantly. According to the measurement data of differential scanning calorimetry, the EuNdCuSe3 decomposes, according to the solid-phase reaction T = 1296 K, ΔH = 8.2 ± 0.8 kJ/mol. EuSmCuSe3 melts incongruently T = 1449 K, ΔH = 18.8 ± 1.9 kJ/mol. For the EuGdCuSe3, two (Tα↔β = 1494 K, ΔHα↔β = 14.8 kJ/mol, Tβ↔γ = 1530 K, ΔHβ↔γ = 4.8 kJ/mol) and for EuErCuSe3 three polymorphic transitions (Tα↔β = 1561 K, ΔHα↔β = 30.3 kJ/mol, Tβ↔γ = 1579 K, ΔHβ↔γ = 4.4 kJ/mol, and Tγ↔δ = 1600 K, ΔHγ↔δ = 10.1 kJ/mol). The compounds melt incongruently at the temperature of 1588 K, ΔHmelt = 17.9 ± 1.8 kJ/mol and 1664 K, ΔHmelt = 25.6 ± 2.5 kJ/mol, respectively. Incongruent melting of the phases proceeds with the formation of a solid solution of EuSe and a liquid phase.

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Section: Introductionmentioning

confidence: 99%

Synthesis, Structure, and Properties of EuLnCuSe3 (Ln = Nd, Sm, Gd, Er)

et al. 2021

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“…The results are in good agreement with previous literature data; however, it is well known that most secondary phases in kesterite preparation cannot be appropriately distinguished by XRD. 31 The relatively low sensitivity of XRD prevents the detection of parasitic inclusions. While the XRD results did not confirm the existence of SnSe 2 in the ingots, microscopic examination demonstrated that inclusions are clearly present (see Fig.…”

Section: Resultsmentioning

confidence: 99%

Single-phase CZTSe via isothermal recrystallization in a KI–KCl flux

et al. 2022

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“…(Figure 1) For instance, site II can be occupied by tetrahedrally coordinated Zn, Cd, or Hg or octahedrally coordinated Ba, Sr, Eu, or Pb, giving rise to either a standard (Figure S1) or a defective (Figure S2) diamond-like structure. [8,9] Previous studies on II-[I 2 -IV-Q 4 ] members, where II indicates octahedral coordination (II = Sr, Ba, Eu, Pb), have revealed that the structural tolerance factors (STFs) t exp I and t exp IV are correlated with properties such as chemical stability, ionic transport, ferroelectricity, and thermal expansion. [10][11][12] As shown in Figure 1, when t exp I < 1.03, an orthorhombic (space group: Ama2) or a trigonal structure is adopted; when t exp I > 1.03, an orthorhombic (I222) or a tetragonal structure is adopted.…”

Section: Introductionmentioning

confidence: 99%

Na₂Ba[Na₂Sn₂S₇]: Structural Tolerance Factor‐Guided NLO Performance Improvement

Liu

et al. 2023

Angewandte Chemie

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The strong mutual coupling of and even the opposite change in the key parameters, such as the band gap (E g ) and second-order harmonic generation (SHG), leads to the extreme scarcity in high-performance IR nonlinear optical (NLO) chalcogenides. Herein, we report 8 new sulfides, Na 2 Ba[(Ag x Na 1À x ) 2 Sn 2 S 7 ] (1, x = 0; 1 series, x = 0.1-0.6; Na 2 Ba[(Li 0.58 Na 0.42 ) 2 Sn 2 S 7 ], 1-0.6Li); Na 2 Sr[Cu 2 Sn 2 S 7 ] (2); and Na 2 Ba[Cu 2 Sn 2 S 7 ] (3). We use the structural tolerance factor (t exp I ) to connect the chemical composition, crystal structure, and NLO properties. Guided by these correlations, a better balance between E g and SHG is realized in 1, which exhibits a large E g of 3.42 eV and excellent NLO properties (SHG: 1.5 × AGS; laser-induced damage threshold: 12 × AGS), representing the best performance among the known Hg-or As-free sulfides to date.

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Cu₂ZnSnS₄ crystal growth using an SnCl₂ based flux

Abstract: The stoichiometry and phase homogeneity of the kesterite type compound Cu2ZnSnS4 play a key role in its efficiency in solar cells. In this work, CuCl2, ZnCl2 and SnCl2 were applied...

Cited by 11 publications

References 49 publications

Synthesis, Structure, and Properties of EuLnCuSe3 (Ln = Nd, Sm, Gd, Er)

Synthesis, Structure, and Properties of EuLnCuSe3 (Ln = Nd, Sm, Gd, Er)

Single-phase CZTSe via isothermal recrystallization in a KI–KCl flux

Na₂Ba[Na₂Sn₂S₇]: Structural Tolerance Factor‐Guided NLO Performance Improvement

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Cu2ZnSnS4 crystal growth using an SnCl2 based flux

Abstract: The stoichiometry and phase homogeneity of the kesterite type compound Cu2ZnSnS4 play a key role in its efficiency in solar cells. In this work, CuCl2, ZnCl2 and SnCl2 were applied...

Cited by 11 publications

References 49 publications

Synthesis, Structure, and Properties of EuLnCuSe3 (Ln = Nd, Sm, Gd, Er)

Synthesis, Structure, and Properties of EuLnCuSe3 (Ln = Nd, Sm, Gd, Er)

Single-phase CZTSe via isothermal recrystallization in a KI–KCl flux

Na2Ba[Na2Sn2S7]: Structural Tolerance Factor‐Guided NLO Performance Improvement

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Product

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Cu₂ZnSnS₄ crystal growth using an SnCl₂ based flux

Na₂Ba[Na₂Sn₂S₇]: Structural Tolerance Factor‐Guided NLO Performance Improvement