Metastability of CuInS2 and its implications on thin-film growth

Abstract

Thin layers of the ternary chalcopyrite semiconductor CuInS2 grown epitaxially on Si(001) substrates were investigated with respect to the existing phases and their lattice parameters by means of x-ray diffraction at the European Synchrotron Radiation Facility in Grenoble (France). The predominant parts of the samples exhibit the metastable CuAu-type ordering. The smaller volume fractions of the samples showing the ground-state chalcopyrite ordering are distorted in order to accommodate themselves to the tetragonal CuAu-type structure. It is suggested that this finding is a consequence of the growth mode of CuInS2 thin films.

Relation of Nanostructure and Recombination Dynamics in a Low‐Temperature Solution‐Processed CuInS2 Nanocrystalline Solar Cell

“…It is known that CIS shows two different structural orderings: one is the desired stable CIS-chalcopyrite (CH) structure (space group I42d ), and the other one is the metastable copper-gold CuAu (CA) structure. [ 12,13 ] For our low-temperature-processed CIS NCs, we observed the A1 vibrational mode of the CH chalcopyrite structure, centering at 292 cm −1 , and a peak at 248 cm −1 attributed to the E/B2 mode of the CH structure ( Figure 2 ). [ 11 ] Due to the small difference between the formation energy of the CH and CA phases, the mixture of both phases is frequently observed for CIS samples.…”

Raman scattering in orthorhombic CuInS2 nanocrystals

“…While for bulk crystals and thin films the tetragonal chalcopyrite and the CuAu‐ordered phases are commonly observed, several uncommon CuInS 2 (CIS) polymorphs have recently been reported for nanocrystalline samples . The inherent cation disorder in CIS as well as rather high probability of formation of secondary phases complicates the study and applications of these CIS‐based materials , similarly to their quaternary counterparts, e.g. Cu 2 ZnSnS 4 .…”

Photoelectrochemical Detection of H2O2 Based on Flower‐Like CuInS2‐Graphene Hybrid

“…However, the intensity ratio of these two peaks ( I D / I G ) slightly increases in comparison with that of GO, which indicates that the sp 2 domain is restored, suggesting GO has been reduced to graphene by TEG 31. CIS exhibits two different crystalline phases at low frequency region 32, 33. One is the stable chalcopyrite structure, and the other is the metastable CuAu structure.…”