8 January 2008 The electronic structure of the PbS(-100) with vacancy defect: first-principles study
Author Affiliations +
Abstract
Electronic properties of both Pb and S vacancy defect in PbS(-100) have been studied using the first principles density functional theory (DFT) calculations with the plane-wave pseudopotentials. The densities of states are computed to investigate the effect of the Pb and S vacancy on the electronic structure, respectively. In the case of S vacancy defect, the Fermi energy shifted to the conduction band making it an n-type PbS (donor). While in the case of Pb vacancy the DOS do change appreciably.
© (2008) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.
Zong-ling Ding, Zong-ling Ding, Huai-zhong Xing, Huai-zhong Xing, Yan Huang, Yan Huang, Xiao-shuang Chen, Xiao-shuang Chen, } "The electronic structure of the PbS(-100) with vacancy defect: first-principles study", Proc. SPIE 6835, Infrared Materials, Devices, and Applications, 68350L (8 January 2008); doi: 10.1117/12.754973; https://doi.org/10.1117/12.754973
PROCEEDINGS
4 PAGES


SHARE
Back to Top