Synthesis, Electrical Conductivity, and Crystal Structure of Cu4Sn7S16and Structure Refinement of Cu2SnS3

Chen, Xuean; Wada, Hiroaki; Sato, Akira; Mieno, Masahiro

doi:10.1006/jssc.1998.7822

Cited by 154 publications

(114 citation statements)

References 26 publications

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“…Besides the monoclinic structure, other structures have also been proposed by previous experiments, e.g., the cubic structure with F43m symmetry and tetragonal structure with I42m symmetry, 17,19,21 . As we know, the binary zincblende structure has F43m symmetry, and the quaternary stannite structure, which is also derived from zinc-blende, has I42m symmetry, so the ternary Cu 2 SnS 3 can have the symmetry (F43m or I42m) only if the cations are randomly occupied over the cation sublattice of the zinc-blende structure.…”

Section: Crystal Structuresmentioning

confidence: 73%

Structural diversity and electronic properties of Cu2SnX3(X=S, Se): A fir

et al. 2011

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The ternary semiconductors Cu2SnX3 (X=S, Se) are found frequently as secondary phases in synthesized Cu2ZnSnS4 and Cu2ZnSnSe4 samples, but previous reports on their crystal structures and electronic band gaps are conflicting. Here we report their structural and electronic properties as calculated using a first-principles approach. We find that: (i) the diverse range of crystal structures such as the monoclinic, cubic and tetragonal phases can all be derived from the zinc-blende structure with tetrahedral coordination. (ii) The energy stability of different structures is determined primarily by the local cation coordination around anions, which can be explained by a generalized valence octet rule. Structures with only Cu3Sn and Cu2Sn2 clusters around the anions have low and nearly degenerate energies, which makes Cu and Sn partially disordered in the cation sublattice. (iii) The direct band gaps of the low energy compounds Cu2SnS3 and Cu2SnSe3 should be in the range of 0.8-0.9 eV and 0.4 eV respectively, and are weakly dependent on the long-range structural order. A direct analogy is drawn with the ordered vacancy compounds found in the Cu(In, Ga)Se2 (CIGS) solar cell absorbers.

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Section: Crystal Structuresmentioning

confidence: 73%

Structural diversity and electronic properties of Cu2SnX3(X=S, Se): A fir

et al. 2011

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“…However, starting from the binary sulfides, there is no chance of designing a cycle without including a phase in which disulfide groups are included. From a structural point of view, no disulfide groups are present in kuramite [7] nor in mohite [21]. This consideration rules out the possibility to extrapolate thermodynamic properties of the Cu-Sn-S ternary sulfides from the opportune mixing of those of the binary sulfides.…”

Section: Solid Phases Considered In the Calculationsmentioning

confidence: 99%

“…The ternary Cu-Sn-S system and some of its most relevant pseudobinary joins have attracted a relevant interest during the 1970s, and then repeatedly studied [8][9][10][11][12][13][14][15][16][17][18][19][20][21][22][23][24][25]. Most of these studies focused on the Cu 2 S-SnS 2 pseudobinary join, whose definitive assessment dates to Olekseyuk et al [23].…”

Section: State-of-the-art In the Cu-sn-s Compositional Fieldmentioning

confidence: 99%

Stability of Naturally Relevant Ternary Phases in the Cu–Sn–S System in Contact with an Aqueous Solution

2016

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Abstract:A relevant research effort is devoted to the synthesis and characterization of phases belonging to the ternary system Cu-Sn-S, mainly for their possible applications in semiconductor technology. Among all ternary phases, kuramite, Cu 3 SnS 4 , mohite, Cu 2 SnS 3 , and Cu 4 Sn 7 S 16 have attracted the highest interest. Numerous studies were carried out claiming for the description of new phases in the ternary compositional field. In this study, we revise the existing literature on this ternary system, with a special focus on the phases stable in a temperature range at 25˝C. The only two ternary phases observed in nature are mohite and kuramite. Their occurrence is described as very rare. A numerical modelling of the stable solid phases in contact with a water solution was underwent to define stability relationships of the relevant phases of the system. The numerical modelling of the Eh-pH diagrams was carried out through the phreeqc software with the lnll.dat thermodynamic database. Owing to the complexity of this task, the subsystems Cu-O-H, Sn-O-H, Cu-S-O-H and Sn-S-O-H were firstly considered. The first Pourbaix diagram for the two naturally relevant ternary phases is then proposed.

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“…1). 86,87 The Cu atoms in sulfur triangles and sulfur octahedra vibrate with large ADP's. The large ADP's for the Cu atoms in Cu 4 SnS 4 and Cu 4 Sn 7 S 16 are interpreted as the dynamical occupation of the split sites, as shown in Figs.…”

Section: E Cu-sb-s and Cu-sn-s Systems (P-type And N-type)mentioning

confidence: 99%

Research Update: Cu–S based synthetic minerals as efficient thermoelectric materials at medium temperatures

2016

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Synthetic minerals and related systems based on Cu–S are attractive thermoelectric (TE) materials because of their environmentally benign characters and high figures of merit at around 700 K. This overview features the current examples including kesterite, binary copper sulfides, tetrahedrite, colusite, and chalcopyrite, with emphasis on their crystal structures and TE properties. This survey highlights the superior electronic properties in the p-type materials as well as the close relationship between crystal structures and thermophysical properties. We discuss the mechanisms of high power factor and low lattice thermal conductivity, approaching higher TE performances for the Cu–S based materials.

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Synthesis, Electrical Conductivity, and Crystal Structure of Cu4Sn7S16and Structure Refinement of Cu2SnS3

Cited by 154 publications

References 26 publications

Structural diversity and electronic properties of Cu2SnX3(X=S, Se): A fir

Structural diversity and electronic properties of Cu2SnX3(X=S, Se): A fir

Stability of Naturally Relevant Ternary Phases in the Cu–Sn–S System in Contact with an Aqueous Solution

Research Update: Cu–S based synthetic minerals as efficient thermoelectric materials at medium temperatures

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