Thermodynamic analysis of trimethylgallium decomposition during GaN metal organic vapor phase epitaxy

Sekiguchi, Kaneo; Shirakawa, Hiroki; Chokawa, Kenta; Araidai, Masaaki; Kangawa, Yoshihiro; Kakimoto, Koichi; Shiraishi, Kenji

doi:10.7567/jjap.57.04fj03

Cited by 15 publications

(12 citation statements)

References 30 publications

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“…In recent experiments triethylgallium (TEGa) was used as the precursor for Ga. A theoretical study based on quantum mechanical calculations predicts the decomposition of triethylgallium to the final product GaH [20]. This was also observed in an experimental study of trimethylgallium (TMGa) in reaction with H 2 [21]. The additional hydrogen is required to saturate the leaving methane.…”

Section: Adsorption Of Galliummentioning

confidence: 81%

Kinetic Monte Carlo model for homoepitaxial growth of Ga2O3

Miller

Meiling

Schewski

et al. 2020

Phys. Rev. Research

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We developed a kinetic Monte Carlo (KMC) model for the homoepitaxy of β-Ga 2 O 3. It comprises adsorption, diffusion, and desorption and reflects the structure of β-Ga 2 O 3 with its two kinds of atoms: Ga and O. The knowledge gained from metal organic vapour phase experiments (MOVPE) experiments combined with AFM and TEM characterisation was used for the setup of rules and activation energies for the various surface processes. We performed a set of runs for the growth on flat and vicinal (100) surfaces. The nucleation on the flat surface requires a minimum ratio of the impingement rate of O 2 and Ga. The behavior at different substrate temperatures was similar in experiment and in simulation. At high temperatures, we observe the formation of large islands whereas at low temperatures small islands are formed. The growth rate is increasing with decreasing temperature. On a vicinal surface (6 •) different growth modes have been observed when using different desorption energies. Low desorption energy (high desorption rate) leads to step bunching, intermediate to step growth, and high energy (low desorption rate) to nucleation on terraces with a final configuration similar to step bunching.

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Section: Adsorption Of Galliummentioning

confidence: 81%

Kinetic Monte Carlo model for homoepitaxial growth of Ga2O3

Miller

Meiling

Schewski

et al. 2020

Phys. Rev. Research

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“…For future work, the prediction could be improved by considering other possible carbon source molecules (e.g., Ga(CH 3 ), Ga(CH 3 ) 3 , C 2 H 4 , etc. [3,53]) or the mixed ratio of the most stable and metastable reconstructions.…”

Section: Discussionmentioning

confidence: 99%

“…For this reason, the theoretical prediction of the C concentration is important. According to thermodynamic analyses, activation energy calculations [3], and time-of-flight (TOF) high-resolution and high-sensitivity mass spectrometry measurements [4], TMG decomposes via reacting with the H 2 carrier gas and/or nitrogen source (NH 3 ), producing CH 4 . Therefore, the interaction between the CH 4 molecule and the GaN surface during the MOVPE growth process must be understood clearly from the standpoint of reducing the unintentional C impurity contamination.…”

Section: Introductionmentioning

confidence: 99%

CH4 Adsorption Probability on GaN(0001) and (000−1) during Metalorganic Vapor Phase Epitaxy and Its Relationship to Carbon Contamination in the Films

Kusaba

Kempisty

et al. 2019

Materials

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Suppression of carbon contamination in GaN films grown using metalorganic vapor phase epitaxy (MOVPE) is a crucial issue in its application to high power and high frequency electronic devices. To know how to reduce the C concentration in the films, a sequential analysis based on first principles calculations is performed. Thus, surface reconstruction and the adsorption of the CH4 produced by the decomposition of the Ga source, Ga(CH3)3, and its incorporation into the GaN sub-surface layers are investigated. In this sequential analysis, the dataset of the adsorption probability of CH4 on reconstructed surfaces is indispensable, as is the energy of the C impurity in the GaN sub-surface layers. The C adsorption probability is obtained based on steepest-entropy-ascent quantum thermodynamics (SEAQT). SEAQT is a thermodynamic ensemble-based, non-phenomenological framework that can predict the behavior of non-equilibrium processes, even those far from equilibrium. This framework is suitable especially when one studies the adsorption behavior of an impurity molecule because the conventional approach, the chemical potential control method, cannot be applied to a quantitative analysis for such a system. The proposed sequential model successfully explains the influence of the growth orientation, GaN(0001) and (000−1), on the incorporation of C into the film. This model can contribute to the suppression of the C contamination in GaN MOVPE.

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“…Finally, we would like to know why the growth rate is higher on narrow stripes. As the observed effects occurred during MOVPE growth on patterned substrates, they should be discussed taking into account the following phenomena: (i) gas phase transport [34,35,36], (ii) gas phase reactions [37,38,39], (iii) gas phase diffusion [40,41,42,43,44,45], and (iv) surface diffusion [46,47,48,49].…”

Section: Discussionmentioning

confidence: 99%

Indium Incorporation into InGaN Quantum Wells Grown on GaN Narrow Stripes

Sarzynski

Grzanka

et al. 2019

Materials

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InGaN quantum wells were grown using metalorganic chemical vapor phase epitaxy (vertical and horizontal types of reactors) on stripes made on GaN substrate. The stripe width was 5, 10, 20, 50, and 100 µm and their height was 4 and 1 µm. InGaN wells grown on stripes made in the direction perpendicular to the off-cut had a rough morphology and, therefore, this azimuth of stripes was not further explored. InGaN wells grown on the stripes made in the direction parallel to the GaN substrate off-cut had a step-flow-like morphology. For these samples (grown at low temperatures), we found out that the InGaN growth rate was higher for the narrower stripes. The higher growth rate induces a higher indium incorporation and a longer wavelength emission in photoluminescence measurements. This phenomenon is very clear for the 4 µm high stripes and less pronounced for the shallower 1 µm high stripes. The dependence of the emission wavelength on the stripe width paves a way to multicolor emitters.

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Thermodynamic analysis of trimethylgallium decomposition during GaN metal organic vapor phase epitaxy

Cited by 15 publications

References 30 publications

Kinetic Monte Carlo model for homoepitaxial growth of Ga2O3

Kinetic Monte Carlo model for homoepitaxial growth of Ga2O3

CH4 Adsorption Probability on GaN(0001) and (000−1) during Metalorganic Vapor Phase Epitaxy and Its Relationship to Carbon Contamination in the Films

Indium Incorporation into InGaN Quantum Wells Grown on GaN Narrow Stripes

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