Molecular dynamics simulation of cubic InxGa(1-x)N layers growth by molecular beam epitaxy

Camas, C.; Conde, J.; Vidal, M. A.; Vilchis, H.

doi:10.1016/j.commatsci.2021.110387

Cited by 7 publications

(3 citation statements)

References 25 publications

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“…This potential could reproduce exactly the target atomic volume, cohesive energy, and bulk modulus for the equilibrium compounds. With the polymorphic potential [20], Camas et al [22] have accurately simulated the defects in the InGaN layer after the molecular beam epitaxy growth of InGaN on GaN, which is similar to the formation process of radiation-induced defects. Therefore, this potential could be a good choice for the simulations of radiation-induced defects in the InGaN/GaN SLS.…”

Section: Simulation Detailsmentioning

confidence: 99%

Radiation-induced defects in the InGaN/GaN superlattice structure

Li,

Jiang,

et al. 2024

Phys. Scr.

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With the molecular dynamics method, this paper investigates radiation-induced defects in the In0.16Ga0.84N/GaN superlattice structure (SLS) and the In0.04Ga0.96N/GaN SLS. In the temporal evolution of cascades, most of vacancies recombine with interstitials. The Monte Carlo simulations about the proportions of PKAs induced by 3 MeV protons were also considered in this work for calculating the weighted averages of surviving defects. For the In0.16Ga0.84N/GaN SLS irradiated by protons, around 82.6 percent of surviving vacancies are Ga vacancies while around 88.9 percent of surviving interstitials are Ga interstitials. For the In0.04Ga0.96N/GaN SLS irradiated by protons, around 87.3 percent of surviving vacancies are Ga vacancies while around 88.6 percent of surviving interstitials are Ga interstitials. N vacancies, N interstitials, and In vacancies also exist in irradiated InGaN/GaN SLS. Details about different types of defects are presented in this paper, which helps explain the microscopic mechanism of irradiated InGaN/GaN SLS. Since different types of defects have different influences on electronic and optical properties, simulations about the proportions of various defects in irradiated InGaN/GaN SLS help experimentalists find the effective factors of radiation-related changes in electronic and optical properties.

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Section: Simulation Detailsmentioning

confidence: 99%

Radiation-induced defects in the InGaN/GaN superlattice structure

Li,

Jiang,

et al. 2024

Phys. Scr.

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“…Chen [11] studied the surface structure formation mechanism and film properties of amorphous TiO2 films under different incident energies of titanium atoms. Camas et al [12] studied the epitaxial growth of cubic InxGa1-xN layer on GaN(001) buffered substrate, and investigated the influence of substrate temperature, flux ratio of In, Ga and N, and concentration of In on dislocation density and crystal quality of cubic InxGa1-xN thin films. Zhang et Al.…”

Section: Molecular Dynamics Simulation Of Thin Film Growthmentioning

confidence: 99%

Research Status of GaN Film Growth

2023

jmpd

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This paper introduces the important application fields, growth methods and molecular dynamics research methods of GaN. Due to the lack of homogeneous substrate, GaN film growth is limited and the crystal quality is poor. At present, heteroepitaxial GaN has some problems, such as high fault density, large residual stress and uneven thickness. The intermediate AlN buffer layer is used to reduce the lattice mismatch and thermal expansion coefficient mismatch between GaN film and substrate. Meanwhile, the growth mechanism of GaN is not well understood. In addition, molecular dynamics simulation is an effective tool to study GaN growth, which can reveal the growth process of GaN film and the evolution of dislocation from a microscopic perspective. The research of this work can provide reference for the next step of GaN film growth.

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“…Liang et al [34] deposited GaN atoms on ALN substrates for simulating the molecular beam epitaxial growth process under various conditions, such as different substrate rotation speed and incident angle, and obtained the growth parameters for developing high-quality crystals. Camas et al [35] investigated the epitaxial growth of a cubic InxGa 1−x N layer on a GaN (001) buffered substrate through molecular dynamics simulations and simulated and studied the substrate temperature, flux ratio of In, Ga to N, In concentration, and cubic InxGa 1−x N layer growth after thermal annealing. Furthermore, they discussed the dislocations, critical thicknesses, and combinations of hexagonal and cubic structures.…”

Section: Introductionmentioning

confidence: 99%

Effects of A s
Tian,
Chen,
Bian
et al. 2024
J. Phys.: Condens. Matter
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Gallium arsenide (GaAs) materials have the advantages of high electron mobility, electron saturation drift rate, and other irreplaceable semiconducting properties. They play an important role in the electronics, solar and other fields. However, during GaAs film sedimentary growth, As atoms can undergo segregation to form As8 clusters because of the influence of external factors, which affect the surface morphology and internal structure of these films. In this study, a series of investigations on the deposition and growth of GaAs crystal films were performed. Additionally, the deposition and growth of GaAs thin films were simulated using molecular dynamics. The influence of As8 clusters on the surface morphology and internal structure of GaAs films at different incidence angles, velocities and substrate temperatures was studied by using "defect analysis technology" and "diamond structure identification" in open source software, along with surface roughness and radial distribution function. Results show that with increasing incident angle, the number of As8 clusters decreases and film density increases. Increasing incident velocity increases the irregular movement of As8 clusters in air, and their deposition on the film surface affects the morphology of the film, the surface roughness increases first and then decreases. Additionally, we investigated the effect of different substrate temperatures on the film surface. Results show that at a substrate temperature of 1173 K, the number of As8 clusters in the film decreases or the As8 clusters disappear, heterogeneous nucleation occurs in the film, and the crystallization rate increases. Although the dislocation line associated with nucleation may affect the mechanical and optical properties of the film, it considerably reduces the annealing effort after the deposition and growth.

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Molecular dynamics simulation of cubic InxGa(1-x)N layers growth by molecular beam epitaxy

Cited by 7 publications

References 25 publications

Radiation-induced defects in the InGaN/GaN superlattice structure

Radiation-induced defects in the InGaN/GaN superlattice structure

Research Status of GaN Film Growth

Effects of A s
Tian,
Chen,
Bian
et al. 2024
J. Phys.: Condens. Matter
0
0
0
0
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Molecular dynamics simulation of cubic InxGa(1-x)N layers growth by molecular beam epitaxy

Cited by 7 publications

References 25 publications

Radiation-induced defects in the InGaN/GaN superlattice structure

Radiation-induced defects in the InGaN/GaN superlattice structure

Research Status of GaN Film Growth

Effects of A sTian, Chen, Bian et al. 2024J. Phys.: Condens. Matter0000View full textAdd to dashboardCite

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Effects of A s
Tian,
Chen,
Bian
et al. 2024
J. Phys.: Condens. Matter
0
0
0
0
View full text Add to dashboard Cite