X-ray powder diffraction refinement of Cu2ZnGeTe4 structure and phase diagram of the Cu2GeTe3–ZnTe system

Parasyuk, O.V.; Olekseyuk, I. D.; Піскач, Л. В.

doi:10.1016/j.jallcom.2005.01.032

Cited by 22 publications

(13 citation statements)

References 15 publications

(22 reference statements)

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“…Hence, we discard the possibility that this thermal effect could be related to Cu 2 ZnGeTe 4 . Thus, the thermal process at 800 K is the only heating effect related to Cu 2 ZnGeTe 4 observed from DTA and would correspond to the peritectic decomposition of the HΤ‐Cu 2 ZnGeTe 4 form (from α‐Cu 2 ZnGeTe 4 + ZnTe to liquid + ZnTe) according to the phase relations reported for this compound . This indicates, as expected, that the HΤ‐phase of Cu 2 ZnGeTe 4 is retained by quenching so that the material crystallizes in this structure at low temperatures.…”

Section: Resultssupporting

confidence: 70%

“…A revision of the diffraction lines of the main phase, taking into account the sample composition, unit cell parameters, the body center cell, as well as the fact that β‐Cu 2 ZnGeTe 4 phase exhibit the ST structure , suggest that α‐Cu 2 ZnGeTe 4 crystallizes in the kesterite‐type (KS) structure (space group I

\overset{4}{true}

). Structural study was performed by the Rietveld refinement method using the Fullprof program .…”

Section: Resultsmentioning

confidence: 99%

“…Minor attention has been devoted to the Cu 2 B II C IV Te 4 members of this family and their physical and chemical properties were only scarcely discussed in the literature . However, the phase relations and crystal structure of the compound Cu 2 ZnGeTe 4 have been studied in some detail by Parasyuk et al by using differential thermal analysis (DTA) and X‐ray powder diffraction (XRD) techniques. They found that at low temperatures, this quaternary compound crystallizes in the tetragonal stannite (ST) structure (space groups I

\overset{4}{true}

2 m ) identified as the β‐Cu 2 ZnGeTe 4 phase.…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Structural characterization of the high‐temperature modification of the Cu₂ZnGeTe₄ quaternary semiconductor compound

Nieves

Delgado

Marcano

et al. 2016

Physica Status Solidi (b)

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A combined study of the X-ray powder diffraction, differential thermal analysis, optical absorption, and Raman spectroscopy of the high-temperature modification of Cu 2 ZnGeTe 4 quaternary semiconductor, obtained by fast quenching from 820 K to ice water temperature, has been done. It has been found that this phase crystallizes in a tetragonal kesterite-type structure. From the analysis of the absorption coefficient spectra, the band gap energy of this material at room temperature has been found to be 1.49 eV. An optical transition from defect acceptor states to the conduction band is also observed below the fundamental absorption edge. Three strongest Raman lines observed at 116, 119, and 139 cm À1 have been assigned to the A-symmetry modes. Also, lines at 81, 89, 97, and 263 cm À1 tentatively ascribed as B or E-symmetry modes have been detected from the spectrum. The presence in this hightemperature modification of ZnTe and Cu 2 GeTe 3 secondary phases has been detected by both XRD and Raman spectroscopy.

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Section: Resultssupporting

confidence: 70%

\overset{4}{true}

). Structural study was performed by the Rietveld refinement method using the Fullprof program .…”

Section: Resultsmentioning

confidence: 99%

\overset{4}{true}

2 m ) identified as the β‐Cu 2 ZnGeTe 4 phase.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Structural characterization of the high‐temperature modification of the Cu₂ZnGeTe₄ quaternary semiconductor compound

Nieves

Delgado

Marcano

et al. 2016

Physica Status Solidi (b)

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“…The crystal structures of ternary famatinite compounds and quaternary chalcogenide compounds are taken from the literature [37][38][39][40][41][42][43][44][45][46][47][48][49][50][51]. First-principles band calculations were performed with the linear augmented-plane-wave (LAPW) method using the WIEN2K package [52] within the framework of density functional theory (DFT).…”

Section: Methodsmentioning

confidence: 99%

Topological insulators in the quaternary chalcogenide compounds and ternary famatinite compounds

et al. 2011

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Topological insulators in the quaternary chalcogenide compounds and ternary famatinite compounds Abstract. We present first-principles calculations to predict several threedimensional (3D) topological insulators in quaternary chalcogenide compounds of compositions I 2 -II-IV-VI 4 and ternary famatinite compounds of compositions I 3 -V-VI 4 . Among the large number of members of these two families, we give examples of naturally occurring compounds that are mainly Cu-based chalcogenides. We show that these materials are candidates for 3D topological insulators or can be tuned to obtain topologically interesting phases by manipulating the atomic number of the various cations and anions. A band inversion can occur at a single point with large inversion strength, in addition to the opening of a bulk bandgap throughout the Brillouin zone. We discuss how the two investigated families of compounds are related to each other by cross-substitution of cations in the underlying tetragonal structure.

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“…The potential applications of the multinary chalcogenide semiconductors in optoelectronics give rise to an intense interest in their design and synthesis that dates back to the 1950s [1][2][3][4]. Ternary I-III-VI 2 compounds can be generated from binary II-VI chalcogenides through substituting group II atoms by pairs of group I and III atoms.…”

Section: Introductionmentioning

confidence: 99%

First-principles study of the optoelectronic properties and photovoltaic absorber layer efficiency of Cu-based chalcogenides

Sarmadian

Saniz

Partoens

et al. 2016

Journal of Applied Physics

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Cu-based chalcogenides are promising materials for thin-film solar cells with more than 20% measured cell efficiency. Using first-principles calculations based on density functional theory, the optoelectronic properties of a group of Cu-based chalcogenides Cu2-II-IV-VI4 is studied. They are then screened with the aim of identifying potential absorber materials for photovoltaic applications. The spectroscopic limited maximum efficiency (SLME) introduced by Yu and Zunger is used as a metric for the screening. After constructing the current-voltage curve, the maximum spectroscopydependent power conversion efficiency is calculated from the maximum power output. The role of the nature of the band gap, direct or indirect, and also of the absorptivity of the studied materials on the maximum theoretical power conversion efficiency is studied. Our results show that Cu2II-GeSe4 with II=Cd and Hg, and Cu2-II-SnS4 with II=Cd and Zn have a higher theoretical efficiency compared to the materials currently used as absorber layer.

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X-ray powder diffraction refinement of Cu2ZnGeTe4 structure and phase diagram of the Cu2GeTe3–ZnTe system

Cited by 22 publications

References 15 publications

Structural characterization of the high‐temperature modification of the Cu₂ZnGeTe₄ quaternary semiconductor compound

Structural characterization of the high‐temperature modification of the Cu₂ZnGeTe₄ quaternary semiconductor compound

Topological insulators in the quaternary chalcogenide compounds and ternary famatinite compounds

First-principles study of the optoelectronic properties and photovoltaic absorber layer efficiency of Cu-based chalcogenides

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X-ray powder diffraction refinement of Cu2ZnGeTe4 structure and phase diagram of the Cu2GeTe3–ZnTe system

Cited by 22 publications

References 15 publications

Structural characterization of the high‐temperature modification of the Cu2ZnGeTe4 quaternary semiconductor compound

Structural characterization of the high‐temperature modification of the Cu2ZnGeTe4 quaternary semiconductor compound

Topological insulators in the quaternary chalcogenide compounds and ternary famatinite compounds

First-principles study of the optoelectronic properties and photovoltaic absorber layer efficiency of Cu-based chalcogenides

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Structural characterization of the high‐temperature modification of the Cu₂ZnGeTe₄ quaternary semiconductor compound

Structural characterization of the high‐temperature modification of the Cu₂ZnGeTe₄ quaternary semiconductor compound