Abstract
We have investigated the effects of intentional sodium incorporation on the electronic structures and electric properties of Cu-deflcient CuInS2 thin films. From ab-initio electronic band structure calculations, for p-type Cu-deficient CuInS2 films, we find that interstitial Na species, except for Na at Cu sites (NaCu), are very unstable and move easily within the crystal. On the other hand, we find that the formation of the ionic chemical bonds of NaCu-S atoms near the surface are energetically favorable due to a remarkable decrease in Madelung energy compared with that of neutral defects-complex of InCu-2VCu. Those calculated results indicate that controlled Na incorporation into CuInS2 thin films causes a decrease in the concentration of intrinsic donor defects such as InCu and VS, leading to good p-type conductivity of CuInS2 films. Those findings are in good agreement with experiments of electrical conductivity and photoluminescence.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
