Crystallographic and optical properties of CuInSe₂–ZnSe system

Abstract

CuIn) 1%x Zn 2x Se 2 (ZCISe) (0.0 : x : 1.0) in the CuInSe 2 -ZnSe system were successfully synthesized by mixing the elemental powders and postheating at 600 °C. X-ray diffraction analysis showed that the lattice constants of ZCISe shortened with increasing Zn content. From the Rietveld refinements of X-ray diffraction data, we found that crystal structure changes from a chalcopyrite-type [I 42d (No. 122)] structure at 0.0 : x : 0.2 to a zinc blende-type [F 43m (No. 216)] structure at 0.6 < x : 1.0. ZCISe with 0.2 < x : 0.6 was a mixed phase of chalcopyrite-type and zinc blendetype. The Cu K-, Zn K-, and Se K-edge X-ray absorption near edge structure (XANES) analyses showed similar results to those of Rietveld refinements of X-ray diffraction data. The band gap of the ZCISe with x = 0.0-0.2 kept almost constant value of E g of CuInSe 2 , about 1 eV. For the samples with x > 0.2, E g of (CuIn) 1%x Zn 2x Se 2 monotonically increases from 1.0 eV at x = 0.2 to 2.6 eV at x = 1.0 (ZnSe).

Syntheses and Characterizations of CuIn1-xZnxSe2 Chalcopyrite Nanoparticles

“…The incorporation of Zn in the CuInSe 2 structure caused a decrease in the volume of the elementary lattices (Table 1) because the radius of the Zn 2+ ion (radius = 0.74 Å) is smaller than that of In 3+ (radius = 0.81 Å). These results are in agreement with previous results in literature, where it was observed [12] that CuInZnSe peaks were shifted to higher diffraction angles with the incorporation of Zn. The incorporation of Zn in the CuInSe2 structure caused a decrease in the volume of the elementary lattices (Table 1) because the radius of the Zn 2+ ion (radius = 0.74 Å) is smaller than that of In 3+ (radius = 0.81 Å).…”

“…The incorporation of Zn in the CuInSe2 structure caused a decrease in the volume of the elementary lattices (Table 1) because the radius of the Zn 2+ ion (radius = 0.74 Å) is smaller than that of In 3+ (radius = 0.81 Å). These results are in agreement with previous results in literature, where it was observed [12] that CuInZnSe peaks were shifted to higher diffraction angles with the incorporation of Zn.…”

CuZnInSe3‐based solar cells: Impact of copper concentration on vibrational and structural properties and device performance

“…Some of the structural properties of the [CuInSe 2 ] 1‐ x [ZnSe] 2 x system have been studied previously . It has been shown that for low ZnSe concentrations ( x < 0.1), a CIZSe phase with chalcopyrite (CH) structure is stable at room temperature.…”

“…Some of the structural properties of the [CuInSe 2 ] 1-x [ZnSe] 2x system have been studied previously. [6][7][8][9] It has been shown that for low ZnSe concentrations (x < 0.1), a CIZSe phase with chalcopyrite (CH) structure is stable at room temperature. A solid solution with sphalerite (SP) crystal structure exists for the high ZnSe concentration (x > 0.35).…”

In-situ XRD study of alloyed Cu2ZnSnSe4–CuInSe2 thin films for solar cells

“…Then the Zn is completly incorporated into the CZTISe alloy maybe because of the formation of other compounds such as CuInZn 2 Se instead of ZnSe. Because of similar lattice parameters of CuInZn 2 Se 4 and CZTSe[16,17,18], the 220/204 diffraction peaks also overlap. Hence, the separation of the CZTSe and CuInZn 2 Se 4 diffraction peaks in XRD is even less developed than the separation of the ZnSe and CZTSe diffraction peaks.…”