Martin Magnusson
deputy head of department
Calculation of hole concentrations in Zn doped GaAs nanowires
Author
Summary, in English
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.
Department/s
- Solid State Physics
- NanoLund: Centre for Nanoscience
- Centre for Analysis and Synthesis
Publishing year
2020
Language
English
Publication/Series
Nanomaterials
Volume
10
Issue
12
Document type
Journal article
Publisher
MDPI AG
Topic
- Condensed Matter Physics
- Nano Technology
Keywords
- Impurity doping
- Nanowires
- Vapor-liquid-solid growth
Status
Published
ISBN/ISSN/Other
- ISSN: 2079-4991