Molecular Dynamics Simulations of Vacancy Generation and Migration near a Monocrystalline Silicon Surface during Energetic Cluster Ion Implantation
Source abstract
Abstract
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 Si35 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.
Source: crossref · Quality: baseline
Research context
OpenAlex topics: Ion-surface interactions and analysis · Diamond and Carbon-based Materials Research · Silicon and Solar Cell Technologies
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
School of Physics, Beihang University, Beijing 100191, China
Beijing Key Laboratory of Advanced Nuclear Energy Materials and Physics, Beihang University, Beijing 100191, China
Beijing Advanced Innovation Center for Big Date-based Precision Medicine, Beihang University, Beijing 100191, China
Institute of Biophysics, Dezhou University, Dezhou 253023, China
Dalian University of Technology, Panjin 124221, China
Institute of Heavy Ion Physics, Peking University, Beijing 100871, China
National Research Tomsk Polytechnic University, Tomsk 634050, Russia
Funding
National Natural Science Foundation of China · National Magnetic Confinement Fusion Program of China
References (26)
Show source-provided references
1. Ion implantation of advanced silicon devices : Past, present and future10.1016/j.mssp.2016.10.045 ↗
2. Crystalline-to-amorphous transition for Si-ion irradiation of Si(100)
3. Ion-beam-induced amorphization and recrystallization in silicon10.1063/1.1808484 ↗
4. Deterministic Role of Collision Cascade Density in Radiation Defect Dynamics in Si10.1103/PhysRevLett.120.216101 ↗
5. Vehicle-to-grid power fundamentals: Calculating capacity and net revenue10.1016/j.jpowsour.2004.12.025 ↗
6. First principle study of Nb defects in anatase (101) TiO2 surface10.1016/j.mssp.2016.01.017 ↗
7. Atomic flows, coronas and cratering in Au, Si and SiO210.1016/j.nimb.2009.01.125 ↗
8. Massive-scale molecular dynamics of ion-irradiated III–V compound semiconductors at the onset of nanopatterning10.1016/j.nimb.2017.04.047 ↗
9. Damage in crystalline silicon by swift heavy ion irradiation10.1016/j.nimb.2011.08.036 ↗
10. Fractal analysis of collision cascades in pulsed-ion-beam-irradiated solids10.1038/s41598-017-17781-5 ↗
11. Molecular dynamics simulation study of damage formation and sputtering with huge fluorine cluster impact on silicon10.1016/j.nimb.2012.10.040 ↗
12. Molecular dynamics simulations of cluster impacts on solid targets: Implantation, surface modification, and sputtering10.1007/s10825-013-0504-5 ↗
13. Effect of collision cascade density on radiation damage in SiC10.1016/j.nimb.2009.01.025 ↗
14. Thermo-hydrodynamic process simulation of craters formation and evolution on metal surfaces caused by intense pulsed ion beams10.1016/j.vacuum.2015.06.028 ↗
15. Anisotropy effect of crater formation on single crystal silicon surface under intense pulsed ion beam irradiation10.1016/j.nimb.2018.02.011 ↗
16. Annealing recovery of nanoscale silicon surface damage caused by Ga focused ion beam10.1016/j.apsusc.2015.03.059 ↗
17. Fast parallel algorithms for short-range molecular dynamics10.1006/jcph.1995.1039 ↗
18. Ziegler, J., Biersack, J., and Littmark, U. (1985). The Stopping and Range of Ions in Solids, Pergamon Press.10.1007/978-1-4615-8103-1_3 ↗
19. Modeling solid-state chemistry: Interatomic potentials for multicomponent systems10.1103/PhysRevB.39.5566 ↗
20. Visualization and analysis of atomistic simulation data with OVITO-the Open Visualization Tool10.1088/0965-0393/18/1/015012 ↗
21. Pathway into the silicon nucleation on silicene substrate at nanoscale10.1016/j.matdes.2015.07.002 ↗
22. An investigation into the structural features and thermal conductivity of silicon nanoparticles using molecular dynamics simulations10.1088/0957-4484/17/15/049 ↗
23. Peng, Q., Meng, F., Yang, Y., Lu, C., Deng, H., Wang, L., De, S., and Gao, F. (2018). Shockwave generates <100 > dislocation loops in bcc iron. Nat. Commun., 9.10.1038/s41467-018-07102-3 ↗
24. On the constitution of Metallic Sodium10.1103/PhysRev.43.804 ↗
25. Efficient annealing of radiation damage near grain boundaries via interstitial emission10.1126/science.1183723 ↗
26. Global transition path search for dislocation formation in Ge on Si(001)10.1016/j.cpc.2016.04.001 ↗