Lattice parameter values and phase transitions for the Cu2Cd1−zMnzSnSe4 and Cu2Cd1−zFezSnSe4 alloys

Moreno, E.; Quintero, M.; Morocoima, M.; Quintero, E.; Grima, P.; Tovar, R.; Bocaranda, P.; Delgado, Gerzon E.; Contreras, Jesús M; Mora, A. E.; Briceño, J.M.; Godoy, R. Avila; Fernández, Jorge Sobral; Henao, J. A.; Macías, Mario A.

doi:10.1016/j.jallcom.2009.07.066

Cited by 10 publications

(8 citation statements)

References 17 publications

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“…Based on the coordinates ( X , Y , Z ) of the Se anion in AgInSe 2 shown in Figure a, we calculate the internal lattice distortion parameter (ψ) following eq as below Here, the coordinates ( X = 0.2553, Y = 0.25, Z = 0.125) corresponding to AgInSe 2 ( y = 1) are used. However, the internal lattice structure distortion (ID) in the minor phase Ag 2 Se is not considered here.…”

Section: Resultssupporting

confidence: 71%

Significant Improvement in Thermoelectric Performance of AgInSe₂-Based Composites through In Situ Formation of Ag₂Se

Zhong

Luo

Xie

et al. 2020

ACS Appl. Energy Mater.

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As the development of n-type ternary chalcopyrite semiconductors in thermoelectrics (TEs) is relatively slow compared to that of their p-type counterparts, it greatly restricts the fabrication of their modules and real applications. In this work, we prepare n-type AgInSe2-based composites via mixing with their electrical property-counter Ag2Se, where each species plays a role in improving the TE performance. The results confirm that the presence of the minor Ag2Se enhances the Hall carrier concentration (n H) significantly and thereby improves the electrical property of the system. At the same time, it reduces the lattice thermal conductivity (κL) at low temperatures as the phonon scattering in the AgInSe2/Ag2Se heterointerface increases. On another note, the internal lattice distortion (ψ) in the main phase AgInSe2 strengthens as the content of Ag2Se increases, which reduces the κL significantly at high temperatures. As a consequence, the resultant ZT value reaches ∼0.9 at 846 K, about 2.7 times that of the pristine AgInSe2.

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Section: Resultssupporting

confidence: 71%

Significant Improvement in Thermoelectric Performance of AgInSe₂-Based Composites through In Situ Formation of Ag₂Se

Zhong

Luo

Xie

et al. 2020

ACS Appl. Energy Mater.

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“…The internal distortion parameter (φ), which is defined as φ = [(1/4 − x) 2 + (1/4 − y) 2 + (1/8 − z) 2 ] 1/2 , is explored to evaluate the degree of local crystal structure distortion in Cu 2+δ Mn 1−δ SnSe 4 . 26 As shown in Figure 3d, the φ increases with increasing δ, suggesting that the substitution Mn by Cu strengthens the local distortion of the crystal structure in Cu 2+δ Mn 1−δ SnSe 4 . On one hand, such a strengthened local structure distortion caused by the shortened distance between the Mn sites and the Se sites releases the distortion caused by the radii gap between Mn and Cu, leading to the almost unchanged a and c values with the increasing off-stoichiometric content δ from 0 to 0.1 (see Figure 3a).…”

Section: Resultsmentioning

confidence: 77%

“…Correspondingly, with increasing off-stoichiometry content δ, a monotonously decrease in the x - (or y ) and z -coordinates is observed (see Figure c). The internal distortion parameter (φ), which is defined as φ = [(1/4 – x ) 2 + (1/4 – y ) 2 + (1/8 – z ) 2 ] 1/2 , is explored to evaluate the degree of local crystal structure distortion in Cu 2+δ Mn 1−δ SnSe 4 . As shown in Figure d, the φ increases with increasing δ, suggesting that the substitution Mn by Cu strengthens the local distortion of the crystal structure in Cu 2+δ Mn 1−δ SnSe 4 .…”

Section: Resultsmentioning

confidence: 99%

Improved Thermoelectric Performance in Nonstoichiometric Cu_2+δMn_1−δSnSe₄ Quaternary Diamondlike Compounds

Song

Qiu

Chen

et al. 2018

ACS Appl. Mater. Interfaces

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A novel quaternary CuMnSnSe diamondlike thermoelectric material was discovered recently based on the pseudocubic structure engineering. In this study, we show that introducing off-stoichiometry in CuMnSnSe effectively enhances its thermoelectric performance by simultaneously optimizing the carrier concentrations and suppressing the lattice thermal conductivity. A series of nonstoichiometric CuMnSnSe (δ = 0, 0.025, 0.05, 0.075, and 0.1) samples has been prepared by the melting-annealing method. The X-ray analysis and the scanning electron microscopy measurement show that all nonstoichiometric samples are phase pure. The Rietveld refinement demonstrates that substituting part of Mn by Cu well maintains the structure distortion parameter η close to 1, but it induces obvious local distortions inside the anion-centered tetrahedrons. Significantly improved carrier concentrations are observed in these nonstoichiometric CuMnSnSe samples, pushing the power factors to the theoretical maximal value predicted by the single parabolic model. Substituting part of Mn by Cu also reduces the lattice thermal conductivity, which is well interpreted by the Callaway model. Finally, a maximal thermoelectric dimensionless figure-of-merit zT around 0.60 at 800 K has been obtained in CuMnSnSe, which is about 33% higher than that in the CuMnSnSe matrix compound.

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“…43 The specific dotted lines in Figure 2a are provided for guidance. To quantify the local distortion in the anionic substructure, the internal lattice structure distortion parameter (ψ) is calculated by eq 1, 44 which is based on the above crystallographic analysis.…”

Section: Resultsmentioning

confidence: 99%

Remarkable Improvement of Thermoelectric Performance in Ga and Te Cointroduced Cu₃SnS₄

Luo

et al. 2021

Inorg. Chem.

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Ternary sulfide Cu 3 SnS 4 (CTS) receives growing interest in photocatalytic and gas sensing applications; however, limited attention has been paid to the application in thermoelectrics in virtue of its intrinsic high carrier concentration. In this work, a high figure of merit of Ga (ZT) and Te cointroduced CTS with the composition of (Cu 3 SnS 4 ) 1−x (Ga 2 Te 3 ) x (x = 0.105) has been realized via synergistic optimization of the electronic and thermal transport properties. The incorporation of Ga into CTS results in a downshift of both the conduction and valence bands, which effectively promotes the active hybridization of Sn 5s and S 3p orbitals near the Fermi level (E F ) and optimizes the carrier concentration. In the meantime, the lattice thermal conductivity (κ L ) generally decreases on account of the local internal distortion induced by Ga(Te) substitution at the Cu(S) site. Moreover, the phonon transport is greatly suppressed above ∼725 K attributed to the melting of the second-phase Te on the grain boundaries. Consequently, the highest ZT value of ∼0.96 is obtained at 798 K. This value is ∼3.6 times that of the pristine CTS and ranks the highest in the CTS system to date.

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Lattice parameter values and phase transitions for the Cu2Cd1−zMnzSnSe4 and Cu2Cd1−zFezSnSe4 alloys

Cited by 10 publications

References 17 publications

Significant Improvement in Thermoelectric Performance of AgInSe₂-Based Composites through In Situ Formation of Ag₂Se

Significant Improvement in Thermoelectric Performance of AgInSe₂-Based Composites through In Situ Formation of Ag₂Se

Improved Thermoelectric Performance in Nonstoichiometric Cu_2+δMn_1−δSnSe₄ Quaternary Diamondlike Compounds

Remarkable Improvement of Thermoelectric Performance in Ga and Te Cointroduced Cu₃SnS₄

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Lattice parameter values and phase transitions for the Cu2Cd1−zMnzSnSe4 and Cu2Cd1−zFezSnSe4 alloys

Cited by 10 publications

References 17 publications

Significant Improvement in Thermoelectric Performance of AgInSe2-Based Composites through In Situ Formation of Ag2Se

Significant Improvement in Thermoelectric Performance of AgInSe2-Based Composites through In Situ Formation of Ag2Se

Improved Thermoelectric Performance in Nonstoichiometric Cu2+δMn1−δSnSe4 Quaternary Diamondlike Compounds

Remarkable Improvement of Thermoelectric Performance in Ga and Te Cointroduced Cu3SnS4

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Significant Improvement in Thermoelectric Performance of AgInSe₂-Based Composites through In Situ Formation of Ag₂Se

Significant Improvement in Thermoelectric Performance of AgInSe₂-Based Composites through In Situ Formation of Ag₂Se

Improved Thermoelectric Performance in Nonstoichiometric Cu_2+δMn_1−δSnSe₄ Quaternary Diamondlike Compounds

Remarkable Improvement of Thermoelectric Performance in Ga and Te Cointroduced Cu₃SnS₄