The effect of doping by IV-family elements on the electronic structure and electrical characteristics of Sb2O5
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The electronic structures of doped Sb2O5 by IV-family elements (Si, Ge and Sn) were examined using the density function theory (DFT). Density of states (DOSs) results showed that the substituted IV-family elements act as acceptors in Sb2O5. Partial DOSs indicates that by substituting Ge(GeSb) or Sn(SnSb), there may be a larger contribution to the total DOSs near EF than by substituting Si, which suggests that doping Ge or Sn in Sb2O5 produces better ptype doping compared to doping Si. Formation energy results show that IV-family elements are more likely to exist in the substituted position rather than in the interstitial position in Sb2O5, decreasing any self-compensation effect and making it easier for IV-family elements to realize ptype doping in Sb2O5. Ionization energy results show that GeSb or SnSb, two among the three impurities considered, act as shallow acceptors in Sb2O5, thus producing a higher concentration of holes.
- 71.15.Mb: Density functional theory, local density approximation, gradient and other corrections
- 71.55.-i: Impurity and defect levels
- 71.20.Nr: Semiconductor compounds
- 71.22.+i: Electronic structure of liquid metals and semiconductors and their alloys
- 72.20.-i: Conductivity phenomena in semiconductors and insulators(see also 66.70.-f Nonelectronic thermal conduction and heat-pulse propagation in solids; thermal waves)
1 - 3 - 2007
24 - 11 - 2006
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