Phase diagram of the Cu2GeSe3–ZnSe system and crystal structure of the Cu2ZnGeSe4 compound

Parasyuk, O.V.; Gulay, L. D.; Romanyuk, Y.E.; Піскач, Л. В.

doi:10.1016/s0925-8388(01)01606-1

Cited by 65 publications

(48 citation statements)

References 6 publications

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“…A high-temperature phase transition occurs in other compounds of this type as well, e.g. Cu 2 ZnGeSe 4 [10] and Cu 2 ZnGeS 4 [11]. The low-temperature (LT) modification crystallizes in the tetragonal space group I42m (a = 0.59540(1) nm, c = 1.1848(1) nm) which correlates well with the results of ref.…”

Section: Phase Diagram Of the Cu 2 Gete 3 -Znte Systemsupporting

confidence: 87%

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

Parasyuk

Olekseyuk

Піскач

2005

Journal of Alloys and Compounds

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Section: Phase Diagram Of the Cu 2 Gete 3 -Znte Systemsupporting

confidence: 87%

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

Parasyuk

Olekseyuk

Піскач

2005

Journal of Alloys and Compounds

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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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“…Such quaternary chalcogenides with I = {Cu, Ag}, II = {Zn, Cd}, III = {Ga, In}, IV = {Ge, Sn}, and VI = {S, Se, Te} have been synthesized by different groups [2,3,7]. In particular, Cu-based chalcogenides Cu 2 -II-IV-VI 4 can be found at the center of various technological innovations.…”

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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Phase diagram of the Cu2GeSe3–ZnSe system and crystal structure of the Cu2ZnGeSe4 compound

Cited by 65 publications

References 6 publications

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

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

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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