Distribution of Atoms in High Chalcocite, Cu
            <sub>2</sub>
            S

Buerger, Μ. J.; Wuensch, B. J.

doi:10.1126/science.141.3577.276

Cited by 123 publications

(83 citation statements)

References 2 publications

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“…This sample produced SnS 2 and CZTS by the end of the scan. The endotherm observed near 100 °C corresponds to a transition between the monoclinic γ-Cu 2 S/Cu 31 S 16 and hexagonal β-Cu 2 S phases [9]. No difference was observed between the post-reaction diffraction patterns of CZTS samples A and B (only CZTS was observed).…”

Section: Resultsmentioning

confidence: 87%

Reaction kinetics of Cu2-xS, ZnS, and SnS2 to form Cu2ZnSnS4 and Cu2SnS3 studied using differential scanning calorimetry

2017

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Differential scanning calorimetry experiments on mixed Cu 2-x S, ZnS, and SnS 2 precursors were conducted to better understand how Cu 2 ZnSnS 4 (CZTS) and Cu 2 SnS 3 form. The onset temperatures of Cu 2 SnS 3 reactions and CZTS suggest that the ZnS phase may mediate Cu 2 SnS 3 formation at lower temperatures before a final CZTS phase forms. We also found no evidence of a stable Cu 2 ZnSn 3 S 8 phase. The major diffraction peaks associated with Cu 2 ZnSnS 4 , and Cu 2 SnS 3 (overlaps with ZnS, as well) began to grow around 380 °C, although the final reaction to form Cu 2 ZnSnS 4 probably did not occur until higher temperatures were reached. An exothermic reaction was observed corresponding to formation of this phase. There was some variability in the onset temperature for reactions to form Cu 2 SnS 3 . At least 5 steps are involved in this reaction and several segments of the reaction had relatively reproducible energies.

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Section: Resultsmentioning

confidence: 87%

Reaction kinetics of Cu2-xS, ZnS, and SnS2 to form Cu2ZnSnS4 and Cu2SnS3 studied using differential scanning calorimetry

2017

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“…For Cu 2 S, orthorhombic crystal is obtained in room temperature, but, beyond 105 ∘ C, it transforms into hexagonal crystal (HC). Furthermore, in higher temperature than 460 ∘ C, it changes to cubic crystal [8]. Copper alloys are often subject to very high pressure and relatively high temperature during operation, such as in the surface layer of mechanical bearing.…”

Section: Theory and Methodsmentioning

confidence: 99%

“…One of stable stoichiometries of copper and sulfide system is found at Cu 2 S (Cu : S = 2 : 1). Interestingly, this Cu 2 S compound exhibits very complicated solid phase transition behavior [8,9]. Around the standard temperature, the unit structure of Cu 2 S is orthorhombic, but it transforms into hexagonal symmetry above 105 ∘ C (degrees Celsius).…”

Section: Journal Of Materialsmentioning

confidence: 99%

Molecular Dynamics Study on Lubrication Mechanism in Crystalline Structure between Copper and Sulfur

Saitoh

Sato

Takuma

et al. 2015

Journal of Materials

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To clarify the nanosized mechanism of good lubrication in copper disulfide (Cu 2 S) crystal which is used as a sliding material, atomistic modeling of Cu 2 S is conducted and molecular dynamics (MD) simulations are performed in this paper. The interatomic interaction between atoms and crystalline structure in the phase of hexagonal crystal of Cu 2 S are carefully estimated by firstprinciple calculations. Then, approximating these interactions, we originally construct a conventional interatomic potential function of Cu 2 S crystal in its hexagonal phase. By using this potential function, we perform MD simulation of Cu 2 S crystal which is subjected to shear loading parallel to the basal plane. We compare results obtained by different conditions of sliding directions. Unlike ordinary hexagonal metallic crystals, it is found that the easy-glide direction does not always show small shear stress for Cu 2 S crystal. Besides, it is found that shearing velocity affects largely the magnitude of averaged shear stress. Generally speaking, higher velocity results in higher resistance against shear deformation. As a result, it is understood that Cu 2 S crystal exhibits somewhat liquid-like (amorphous) behavior in sliding condition and shear resistance increases with increase of sliding speed.

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“…It is a fast ionic conductor (7) with highly mobile Cu ions. A phase transition in the bulk material occurs near 100°C from a semiconducting (8) monoclinic symmetry low-chalcocite phase (9) [hereafter called the "L-s phase" (i.e., low, semiconducting); space group P2 1 /c] to an electrically insulating (10) hexagonal symmetry high-chalcocite phase (7,11) [hereafter called the "H-i phase" (i.e., high, insulating); space group P6 3 /mmc]. The coinciding changes in the bulk electrical conductivity and crystal structure present a possibility for exploring the relationship between electronic and structural phase transitions.…”

mentioning

confidence: 99%

“…The coinciding changes in the bulk electrical conductivity and crystal structure present a possibility for exploring the relationship between electronic and structural phase transitions. Difficulties in the synthesis of stoichiometric Cu 2 S material and the lack of detailed theoretical treatments of both the crystal and the electronic structures of Cu 2 S have hindered the understanding of the phase transition (7,(11)(12)(13).…”

mentioning

confidence: 99%

Reversible structure manipulation by tuning carrier concentration in metastable Cu ₂ S

Tao

Chen

et al. 2017

Proc. Natl. Acad. Sci. U.S.A.

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The optimal functionalities of materials often appear at phase transitions involving simultaneous changes in the electronic structure and the symmetry of the underlying lattice. It is experimentally challenging to disentangle which of the two effects--electronic or structural--is the driving force for the phase transition and to use the mechanism to control material properties. Here we report the concurrent pumping and probing of Cu 2 S nanoplates using an electron beam to directly manipulate the transition between two phases with distinctly different crystal symmetries and charge-carrier concentrations, and show that the transition is the result of charge generation for one phase and charge depletion for the other. We demonstrate that this manipulation is fully reversible and nonthermal in nature. Our observations reveal a phase-transition pathway in materials, where electron-induced changes in the electronic structure can lead to a macroscopic reconstruction of the crystal structure. functional and quantum materials--the key properties of functional materials are often born out of strong structural and electronic interactions that are quantum mechanical in nature. Notable examples include colossal magnetoresistance manganites (1), ferroelectrics (2), and valleytronic materials (3). The targeted functions are usually accompanied by symmetry breaking, induced through changes in temperature or under other external perturbations. A prominent question is whether the symmetry reduction has an origin in the lattice (e.g., in the form of displacement of atoms, and could be described reasonably well using first-principles calculations) or the electronic degrees of freedom (charge, spin, and orbital) (4-6). It is of great interest to distinguish the roles of these factors in phase transitions.Cu 2 S provides an intriguing example for addressing the above "chicken-and-egg" question (6), which is critical to the understanding of a wide range of functional and quantum materials. It is a fast ionic conductor (7) with highly mobile Cu ions. A phase transition in the bulk material occurs near 100°C from a semiconducting (8) monoclinic symmetry low-chalcocite phase (9) [hereafter called the "L-s phase" (i.e., low, semiconducting); space group P2 1 /c] to an electrically insulating (10) hexagonal symmetry high-chalcocite phase (7, 11) [hereafter called the "H-i phase" (i.e., high, insulating); space group P6 3 /mmc]. The coinciding changes in the bulk electrical conductivity and crystal structure present a possibility for exploring the relationship between electronic and structural phase transitions. Difficulties in the synthesis of stoichiometric Cu 2 S material and the lack of detailed theoretical treatments of both the crystal and the electronic structures of Cu 2 S have hindered the understanding of the phase transition (7, 11-13). Results and DiscussionWe have recently synthesized high-quality Cu 2 S nanoplates (Materials and Methods), which are on the order of 10-nm thick and 100 nm in lateral dimension ( Fig. 1 A and B)....

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Distribution of Atoms in High Chalcocite, Cu ₂ S

Cited by 123 publications

References 2 publications

Reaction kinetics of Cu2-xS, ZnS, and SnS2 to form Cu2ZnSnS4 and Cu2SnS3 studied using differential scanning calorimetry

Reaction kinetics of Cu2-xS, ZnS, and SnS2 to form Cu2ZnSnS4 and Cu2SnS3 studied using differential scanning calorimetry

Molecular Dynamics Study on Lubrication Mechanism in Crystalline Structure between Copper and Sulfur

Reversible structure manipulation by tuning carrier concentration in metastable Cu ₂ S

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Distribution of Atoms in High Chalcocite, Cu 2 S

Cited by 123 publications

References 2 publications

Reaction kinetics of Cu2-xS, ZnS, and SnS2 to form Cu2ZnSnS4 and Cu2SnS3 studied using differential scanning calorimetry

Reaction kinetics of Cu2-xS, ZnS, and SnS2 to form Cu2ZnSnS4 and Cu2SnS3 studied using differential scanning calorimetry

Molecular Dynamics Study on Lubrication Mechanism in Crystalline Structure between Copper and Sulfur

Reversible structure manipulation by tuning carrier concentration in metastable Cu 2 S

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Distribution of Atoms in High Chalcocite, Cu ₂ S

Reversible structure manipulation by tuning carrier concentration in metastable Cu ₂ S