Based on first-principles calculations, we explored a good candidate for achieving low-resistance and high carrier concentration of n-type ZnS by a dual-donor codoping method, where the ionization energy was effectively reduced. We found that the SnZn-FS pair has a shallow donor level of 17.2 meV, a small formation energy of 1.27 eV and a high binding energy of 1.28 eV. The density of states analysis showed that the SnZn-FS pair induces the downward shift of the conduction band minimum by about 0.15 eV, while the basis electronic structure does not change. Thus, the SnZn-FS pair is likely to be a best n-type dopant for ZnS.
Revised: September 21, 2011 |
Published: August 1, 2011
Citation
Li D.F., B. Deng, S. Xue, Z. Wang, and F. Gao. 2011.Dual-donor codoping approach to realize low-resistance n-type ZnS semiconductor.Applied Physics Letters 99, no. 5:Art. No. 052109.PNNL-SA-81436.doi:10.1063/1.3624531