Molecular Dynamics Simulations of Vacancy Generation and Migration near a Monocrystalline Silicon Surface during Energetic Cluster Ion Implantation
The process of ion implantation often involves vacancy generation and migration. The vacancy generation and migration near a monocrystalline silicon surface during three kinds of energetic Si<sub>35</sub> cluster ion implantations were investigated by molecular dynamics simulations in th...
| Main Authors: | , , , , , , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2020-02-01
|
| Series: | Coatings |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2079-6412/10/2/146 |
| id |
doaj-01efd647f2584989aa9a9316c6e149f2 |
|---|---|
| record_format |
Article |
| spelling |
doaj-01efd647f2584989aa9a9316c6e149f22020-11-25T02:45:08ZengMDPI AGCoatings2079-64122020-02-0110214610.3390/coatings10020146coatings10020146Molecular Dynamics Simulations of Vacancy Generation and Migration near a Monocrystalline Silicon Surface during Energetic Cluster Ion ImplantationGuoying Liang0Haowen Zhong1Yinong Wang2Shijian Zhang3Mofei Xu4Shicheng Kuang5Jianhui Ren6Nan Zhang7Sha Yan8Xiao Yu9Gennady Efimovich Remnev10Xiaoyun Le11School of Physics, Beihang University, Beijing 100191, ChinaSchool of Physics, Beihang University, Beijing 100191, ChinaDalian University of Technology, Panjin 124221, ChinaSchool of Physics, Beihang University, Beijing 100191, ChinaSchool of Physics, Beihang University, Beijing 100191, ChinaSchool of Physics, Beihang University, Beijing 100191, ChinaSchool of Physics, Beihang University, Beijing 100191, ChinaSchool of Physics, Beihang University, Beijing 100191, ChinaInstitute of Heavy Ion Physics, Peking University, Beijing 100871, ChinaSchool of Physics, Beihang University, Beijing 100191, ChinaSchool of Physics, Beihang University, Beijing 100191, ChinaSchool of Physics, Beihang University, Beijing 100191, ChinaThe process of ion implantation often involves vacancy generation and migration. The vacancy generation and migration near a monocrystalline silicon surface during three kinds of energetic Si<sub>35</sub> cluster ion implantations were investigated by molecular dynamics simulations in the present work. The patterns of vacancy generation and migration, as well as the implantation-induced amorphous structure, were analyzed according to radial distribution function, Wigner−Seitz cell, and identify diamond structure analytical methods. A lot of vacancies rapidly generate and migrate in primary directions and form an amorphous structure in the first two picoseconds. The cluster with higher incident kinetic energy can induce the generation and migration of more vacancies and a deeper amorphous structure. Moreover, boundaries have a loading−unloading effect, where interstitial atoms load into the boundary, which then acts as a source, emitting interstitial atoms to the target and inducing the generation of vacancies again. These results provide more insight into doping silicon via ion implantation.https://www.mdpi.com/2079-6412/10/2/146molecular dynamicsvacancysiliconclusterimplantation |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
Guoying Liang Haowen Zhong Yinong Wang Shijian Zhang Mofei Xu Shicheng Kuang Jianhui Ren Nan Zhang Sha Yan Xiao Yu Gennady Efimovich Remnev Xiaoyun Le |
| spellingShingle |
Guoying Liang Haowen Zhong Yinong Wang Shijian Zhang Mofei Xu Shicheng Kuang Jianhui Ren Nan Zhang Sha Yan Xiao Yu Gennady Efimovich Remnev Xiaoyun Le Molecular Dynamics Simulations of Vacancy Generation and Migration near a Monocrystalline Silicon Surface during Energetic Cluster Ion Implantation Coatings molecular dynamics vacancy silicon cluster implantation |
| author_facet |
Guoying Liang Haowen Zhong Yinong Wang Shijian Zhang Mofei Xu Shicheng Kuang Jianhui Ren Nan Zhang Sha Yan Xiao Yu Gennady Efimovich Remnev Xiaoyun Le |
| author_sort |
Guoying Liang |
| title |
Molecular Dynamics Simulations of Vacancy Generation and Migration near a Monocrystalline Silicon Surface during Energetic Cluster Ion Implantation |
| title_short |
Molecular Dynamics Simulations of Vacancy Generation and Migration near a Monocrystalline Silicon Surface during Energetic Cluster Ion Implantation |
| title_full |
Molecular Dynamics Simulations of Vacancy Generation and Migration near a Monocrystalline Silicon Surface during Energetic Cluster Ion Implantation |
| title_fullStr |
Molecular Dynamics Simulations of Vacancy Generation and Migration near a Monocrystalline Silicon Surface during Energetic Cluster Ion Implantation |
| title_full_unstemmed |
Molecular Dynamics Simulations of Vacancy Generation and Migration near a Monocrystalline Silicon Surface during Energetic Cluster Ion Implantation |
| title_sort |
molecular dynamics simulations of vacancy generation and migration near a monocrystalline silicon surface during energetic cluster ion implantation |
| publisher |
MDPI AG |
| series |
Coatings |
| issn |
2079-6412 |
| publishDate |
2020-02-01 |
| description |
The process of ion implantation often involves vacancy generation and migration. The vacancy generation and migration near a monocrystalline silicon surface during three kinds of energetic Si<sub>35</sub> cluster ion implantations were investigated by molecular dynamics simulations in the present work. The patterns of vacancy generation and migration, as well as the implantation-induced amorphous structure, were analyzed according to radial distribution function, Wigner−Seitz cell, and identify diamond structure analytical methods. A lot of vacancies rapidly generate and migrate in primary directions and form an amorphous structure in the first two picoseconds. The cluster with higher incident kinetic energy can induce the generation and migration of more vacancies and a deeper amorphous structure. Moreover, boundaries have a loading−unloading effect, where interstitial atoms load into the boundary, which then acts as a source, emitting interstitial atoms to the target and inducing the generation of vacancies again. These results provide more insight into doping silicon via ion implantation. |
| topic |
molecular dynamics vacancy silicon cluster implantation |
| url |
https://www.mdpi.com/2079-6412/10/2/146 |
| work_keys_str_mv |
AT guoyingliang moleculardynamicssimulationsofvacancygenerationandmigrationnearamonocrystallinesiliconsurfaceduringenergeticclusterionimplantation AT haowenzhong moleculardynamicssimulationsofvacancygenerationandmigrationnearamonocrystallinesiliconsurfaceduringenergeticclusterionimplantation AT yinongwang moleculardynamicssimulationsofvacancygenerationandmigrationnearamonocrystallinesiliconsurfaceduringenergeticclusterionimplantation AT shijianzhang moleculardynamicssimulationsofvacancygenerationandmigrationnearamonocrystallinesiliconsurfaceduringenergeticclusterionimplantation AT mofeixu moleculardynamicssimulationsofvacancygenerationandmigrationnearamonocrystallinesiliconsurfaceduringenergeticclusterionimplantation AT shichengkuang moleculardynamicssimulationsofvacancygenerationandmigrationnearamonocrystallinesiliconsurfaceduringenergeticclusterionimplantation AT jianhuiren moleculardynamicssimulationsofvacancygenerationandmigrationnearamonocrystallinesiliconsurfaceduringenergeticclusterionimplantation AT nanzhang moleculardynamicssimulationsofvacancygenerationandmigrationnearamonocrystallinesiliconsurfaceduringenergeticclusterionimplantation AT shayan moleculardynamicssimulationsofvacancygenerationandmigrationnearamonocrystallinesiliconsurfaceduringenergeticclusterionimplantation AT xiaoyu moleculardynamicssimulationsofvacancygenerationandmigrationnearamonocrystallinesiliconsurfaceduringenergeticclusterionimplantation AT gennadyefimovichremnev moleculardynamicssimulationsofvacancygenerationandmigrationnearamonocrystallinesiliconsurfaceduringenergeticclusterionimplantation AT xiaoyunle moleculardynamicssimulationsofvacancygenerationandmigrationnearamonocrystallinesiliconsurfaceduringenergeticclusterionimplantation |
| _version_ |
1724763984515563520 |