Effects of Na Incorporation in p-Type CuInS2
- 1 December 1998
- journal article
- Published by IOP Publishing in Japanese Journal of Applied Physics
- Vol. 37 (12A) , L1478
- https://doi.org/10.1143/jjap.37.l1478
Abstract
We have investigated the electronic structures of Na-incorporated In-rich CuInS2based onab initioelectronic band structure calculations. We find that the formation of ionic NaCu–S bonds decreases the Madelung energy, resulting in a shift in the energy levels of S 3porbitals in the vicinity of the Na atoms towards lower energy regions. Forp-type CuInS2:VCu, we find that interstitial Na species, except for NaCu, are very unstable and move easily within the crystal. This indicates that the mobile Na will act as a passivator of donor states such as InCuand interstitial In.Keywords
This publication has 10 references indexed in Scilit:
- Changes in the electronic structure of CuInS2 thin films by Na incorporationApplied Physics Letters, 1998
- The influence of sodium on the properties of CuInS2 thin films and solar cellsSolar Energy Materials and Solar Cells, 1997
- Control of valence states by a codoping method in CuInS2Solar Energy Materials and Solar Cells, 1997
- Improved compositional flexibility of Cu(In,Ga)Se2-based thin film solar cells by sodium control techniqueSolar Energy Materials and Solar Cells, 1997
- Effects of Sodium on Cu(In, Ga)Se2-Based Thin Films and Solar CellsJapanese Journal of Applied Physics, 1997
- Physics and Control of Conduction Type in CuInS2with Defect Chalcopyrite StructureJapanese Journal of Applied Physics, 1995
- Cohesive properties of metallic compounds: Augmented-spherical-wave calculationsPhysical Review B, 1979
- A local exchange-correlation potential for the spin polarized case. iJournal of Physics C: Solid State Physics, 1972
- Defect structure of calcium fluoride containing excess anions I. Bragg scatteringJournal of Physics C: Solid State Physics, 1971
- Self-Consistent Equations Including Exchange and Correlation EffectsPhysical Review B, 1965