Dual-donor codoping approach to realize low-resistance n-type ZnS semiconductor

Journal Article · Mon Aug 01 00:00:00 EDT 2011 · Applied Physics Letters, 99(5):Art. No. 052109

DOI:https://doi.org/10.1063/1.3624531· OSTI ID:1025661

Li, D F; Deng, Bo; Xue, Shuwen; Wang, Zhiguo; Gao, Fei

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.

• Research Organization: Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
• Sponsoring Organization: USDOE
• DOE Contract Number: AC05-76RL01830
• OSTI ID: 1025661
• Report Number(s): PNNL-SA-81436; APPLAB; KC0201020; TRN: US201120%%672
• Journal Information: Applied Physics Letters, 99(5):Art. No. 052109, Vol. 99, Issue 5; ISSN 0003-6951
• Country of Publication: United States
• Language: English

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
BINDING ENERGY
ELECTRONIC STRUCTURE
IONIZATION
Dual-donor codoping
ZnS semiconductor
Ab initio calculations