MD simulation study on defect evolution and doping efficiency of p-type doping of 3C-SiC by Al ion implantation with subsequent annealing

Wu, Jintong; Xu, Zongwei; Liu, Lei; Hartmaier, Alexander; Rommel, Mathias; Nordlund, K.; Wang, Tao; Janisch, Rebecca; Zhao, Junlei

doi:10.1039/d0tc05374k

Cited by 22 publications

(8 citation statements)

References 91 publications

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“…Notably, in Figure 7, our simulations also demonstrate another form of structural transition in irradiated GaAs NWs. Combining Figures 7 and 8; we find a small amount of atoms to hexagonal diamond (WZ) structural change region in GaAs NWs at high dose damage, and the same structural transformation phenomenon was also exhibited in irradiated Si [17] and 3C-SiC [43]. This conversion pattern shows an upward to stable trend.…”

Section: High-doses Ion Irradiation Effectssupporting

confidence: 52%

“…Nanomaterials 2022, 12, x FOR PEER REVIEW 9 of 14 transformation phenomenon was also exhibited in irradiated Si [17] and 3C-SiC [43]. This conversion pattern shows an upward to stable trend.…”

Section: High-doses Ion Irradiation Effectsmentioning

confidence: 75%

“…First, under the unirradiated condition, the continuous stretching causes increased stress, and NWs go through the elastic and yield stages, respectively. After reaching the maximum value, i.e., yield strength, the stress value suddenly decreases, and the transformation phenomenon was also exhibited in irradiated Si [17] and 3C-SiC [43]. This conversion pattern shows an upward to stable trend.…”

Section: Tensile Deformation Of Irradiated Gaas Nwsmentioning

confidence: 90%

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Simulation Study on the Defect Generation, Accumulation Mechanism and Mechanical Response of GaAs Nanowires under Heavy-Ion Irradiation

et al. 2022

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Nanowire structures with high-density interfaces are considered to have higher radiation damage resistance properties compared to conventional bulk structures. In the present work, molecular dynamics (MD) is conducted to investigate the irradiation effects and mechanical response changes of GaAs nanowires (NWs) under heavy-ion irradiation. For this simulation, single-ion damage and high-dose ion injection are used to reveal defect generation and accumulation mechanisms. The presence of surface effects gives an advantage to defects in rapid accumulation but is also the main cause of dynamic annihilation of the surface. Overall, the defects exhibit a particular mechanism of rapid accumulation to saturation. Moreover, for the structural transformation of irradiated GaAs NWs, amorphization is the main mode. The main damage mechanism of NWs is sputtering, which also leads to erosion refinement at high doses. The high flux ions lead to a softening of the mechanical properties, which can be reflected by a reduction in yield strength and Young’s modulus.

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Section: High-doses Ion Irradiation Effectssupporting

confidence: 52%

Section: High-doses Ion Irradiation Effectsmentioning

confidence: 75%

Section: Tensile Deformation Of Irradiated Gaas Nwsmentioning

confidence: 90%

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Simulation Study on the Defect Generation, Accumulation Mechanism and Mechanical Response of GaAs Nanowires under Heavy-Ion Irradiation

et al. 2022

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“…These potentials are fit to give the bulk elastic constants, cohesive energy, low-index surface energies, and stacking fault energy. These potentials have been successfully used in other studies to simulate the mechanical behavior of nanostructures [30][31][32][33][34].…”

Section: 2mentioning

confidence: 99%

Invariant surface elastic properties in FCC metals and their correlation to bulk properties revealed by machine learning methods

Chen¹,

Dingreville²,

Richeton³

et al. 2022

Journal of the Mechanics and Physics of Solids

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“…The mass and energy transfer phenomena are associated with processes such as severe plastic deformation [ 1 ], plasma and laser treatment [ 2 , 3 , 4 ], ion implantation [ 5 ], and irradiation [ 6 , 7 , 8 , 9 , 10 , 11 ]. Ion implantation can be used to dope elements onto a surface [ 12 ] and modify the near surface layers to toughen materials [ 13 ]. Bioactivity of titanium surface can be promoted by magnesium ion implantation [ 14 ].…”

Section: Introductionmentioning

confidence: 99%

Supersonic Motion of Atoms in an Octahedral Channel of fcc Copper

et al. 2022

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In this work, the mass transfer along an octahedral channel in an fcc copper single crystal is studied for the first time using the method of molecular dynamics. It is found that the initial position of the bombarding atom, outside or inside the crystal, does not noticeably affect the dynamics of its motion. The higher the initial velocity of the bombarding atom, the deeper its penetration into the material. It is found out how the place of entry of the bombarding atom into the channel affects its further dynamics. The greatest penetration depth and the smallest dissipation of kinetic energy occurs when the atom moves exactly in the center of the octahedral channel. The deviation of the bombarding atom from the center of the channel leads to the appearance of other velocity components perpendicular to the initial velocity vector and to an increase in its energy dissipation. Nevertheless, the motion of an atom along the channel is observed even when the entry point deviates from the center of the channel by up to 0.5 Å. The dissipated kinetic energy spent on the excitation of the atoms forming the octahedral channel is nearly proportional to the deviation from the center of the channel. At sufficiently high initial velocities of the bombarding atom, supersonic crowdions are formed, moving along the close-packed direction ⟨1¯10⟩, which is perpendicular to the direction of the channel. The results obtained are useful for understanding the mechanism of mass transfer during ion implantation and similar experimental techniques.

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MD simulation study on defect evolution and doping efficiency of p-type doping of 3C-SiC by Al ion implantation with subsequent annealing

Abstract: For the first time, the doping efficiency and defect evolution of p-type doping by aluminum in SiC are clarified and distinguished by an MD study.

Cited by 22 publications

References 91 publications

Simulation Study on the Defect Generation, Accumulation Mechanism and Mechanical Response of GaAs Nanowires under Heavy-Ion Irradiation

Simulation Study on the Defect Generation, Accumulation Mechanism and Mechanical Response of GaAs Nanowires under Heavy-Ion Irradiation

Invariant surface elastic properties in FCC metals and their correlation to bulk properties revealed by machine learning methods

Supersonic Motion of Atoms in an Octahedral Channel of fcc Copper

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