Calculation of Hole Concentrations in Zn Doped GaAs Nanowires
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...
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doaj-936a18624f9e44bfa57cda5441f0aeb22020-12-17T00:00:40ZengMDPI AGNanomaterials2079-49912020-12-01102524252410.3390/nano10122524Calculation of Hole Concentrations in Zn Doped GaAs NanowiresJonas Johansson0Masoomeh Ghasemi1Sudhakar Sivakumar2Kilian Mergenthaler3Axel R. Persson4Wondwosen Metaferia5Martin H. Magnusson6Solid State Physics, Lund University, Box 118, 221 00 Lund, SwedenThermo-Calc Software AB, 169 67 Solna, SwedenSolid State Physics, Lund University, Box 118, 221 00 Lund, SwedenSolid State Physics, Lund University, Box 118, 221 00 Lund, SwedenNanoLund, Lund University, 221 00 Lund, SwedenSolid State Physics, Lund University, Box 118, 221 00 Lund, SwedenSolid State Physics, Lund University, Box 118, 221 00 Lund, SwedenWe 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.https://www.mdpi.com/2079-4991/10/12/2524nanowiresvapor-liquid-solid growthimpurity doping |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Jonas Johansson Masoomeh Ghasemi Sudhakar Sivakumar Kilian Mergenthaler Axel R. Persson Wondwosen Metaferia Martin H. Magnusson |
spellingShingle |
Jonas Johansson Masoomeh Ghasemi Sudhakar Sivakumar Kilian Mergenthaler Axel R. Persson Wondwosen Metaferia Martin H. Magnusson Calculation of Hole Concentrations in Zn Doped GaAs Nanowires Nanomaterials nanowires vapor-liquid-solid growth impurity doping |
author_facet |
Jonas Johansson Masoomeh Ghasemi Sudhakar Sivakumar Kilian Mergenthaler Axel R. Persson Wondwosen Metaferia Martin H. Magnusson |
author_sort |
Jonas Johansson |
title |
Calculation of Hole Concentrations in Zn Doped GaAs Nanowires |
title_short |
Calculation of Hole Concentrations in Zn Doped GaAs Nanowires |
title_full |
Calculation of Hole Concentrations in Zn Doped GaAs Nanowires |
title_fullStr |
Calculation of Hole Concentrations in Zn Doped GaAs Nanowires |
title_full_unstemmed |
Calculation of Hole Concentrations in Zn Doped GaAs Nanowires |
title_sort |
calculation of hole concentrations in zn doped gaas nanowires |
publisher |
MDPI AG |
series |
Nanomaterials |
issn |
2079-4991 |
publishDate |
2020-12-01 |
description |
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. |
topic |
nanowires vapor-liquid-solid growth impurity doping |
url |
https://www.mdpi.com/2079-4991/10/12/2524 |
work_keys_str_mv |
AT jonasjohansson calculationofholeconcentrationsinzndopedgaasnanowires AT masoomehghasemi calculationofholeconcentrationsinzndopedgaasnanowires AT sudhakarsivakumar calculationofholeconcentrationsinzndopedgaasnanowires AT kilianmergenthaler calculationofholeconcentrationsinzndopedgaasnanowires AT axelrpersson calculationofholeconcentrationsinzndopedgaasnanowires AT wondwosenmetaferia calculationofholeconcentrationsinzndopedgaasnanowires AT martinhmagnusson calculationofholeconcentrationsinzndopedgaasnanowires |
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1724380810823335936 |