| Autor: |
Johansson J; Solid State Physics, Lund University, Box 118, 221 00 Lund, Sweden.; NanoLund, Lund University, 221 00 Lund, Sweden., Ghasemi M; Thermo-Calc Software AB, 169 67 Solna, Sweden., Sivakumar S; Solid State Physics, Lund University, Box 118, 221 00 Lund, Sweden.; NanoLund, Lund University, 221 00 Lund, Sweden., Mergenthaler K; Solid State Physics, Lund University, Box 118, 221 00 Lund, Sweden.; NanoLund, Lund University, 221 00 Lund, Sweden., Persson AR; NanoLund, Lund University, 221 00 Lund, Sweden.; nCHREM/Centre for Analysis and Synthesis, Lund University, Box 124, 221 00 Lund, Sweden., Metaferia W; Solid State Physics, Lund University, Box 118, 221 00 Lund, Sweden.; NanoLund, Lund University, 221 00 Lund, Sweden., Magnusson MH; Solid State Physics, Lund University, Box 118, 221 00 Lund, Sweden.; NanoLund, Lund University, 221 00 Lund, Sweden. |
| Abstrakt: |
We have previously demonstrated that we can grow p-type GaAs nanowires using Zn doping during gold catalyzed growth with aerotaxy. In this investigation, we show how to calculate the hole concentrations in such nanowires. We base the calculations on the Zhang-Northrup defect formation energy. Using density functional theory, we calculate the energy of the defect, a Zn atom on a Ga site, using a supercell approach. The chemical potentials of Zn and Ga in the liquid catalyst particle are calculated from a thermodynamically assessed database including Au, Zn, Ga, and As. These quantities together with the chemical potential of the carriers enable us to calculate the hole concentration in the nanowires self-consistently. We validate our theoretical results against aerotaxy grown GaAs nanowires where we have varied the hole concentration by varying the Zn/Ga ratio in the aerotaxy growth. |
