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List of Presentations
Yoshihiro KANGAWA Last modified date：2024.04.17

Professor / Division of Renewable Energy Dynamics / Research Institute for Applied Mechanics


Presentations
1. Akira Kusaba, Tetsuji Kuboyama, Yoshihiro Kangawa, Determination of Local Electron Counting Rule Satisfaction by SAT Solver, The 9th Asian Conference on Crystal Growth and Crystal Technology (CGCT-9), 2024.06.
2. R. Shimauchi, Y. Kangawa, A. Kusaba, Vacancies in III-Nitrides (II): Diffusion near Hetero Interfaces, 10th International Conference on Light-Emitting Devices and Their Industrial Applications (LEDIA 2024), 2024.04.
3. K. Tateyama, Y. Kangawa, A. Kusaba, T. Kawamura, Vacancies in III-Nitrides (I): Formation under Reconstructed Surfaces, 10th International Conference on Light-Emitting Devices and Their Industrial Applications (LEDIA 2024), 2024.04.
4. T. Yamashita, T. Kawamura, T. Akiyama, Y. Kangawa, First-Principles Calculations of Bandgap Control of κ-Ga2O3 by Uniaxial Strain, 10th International Conference on Light-Emitting Devices and Their Industrial Applications (LEDIA 2024), 2024.04.
5. T. Nishimura, T. Kawamura, T. Akiyama, Y. Kangawa, Electronic structures of κ Ga2O3/Al2O3 superlattices, 10th International Conference on Light-Emitting Devices and Their Industrial Applications (LEDIA 2024), 2024.04.
6. T. Kawamura, T. Akiyama, Y. Kangawa, First-principles calculation of band structure of alpha-Ga2O3/Al2O3 superlattices, The 20th International Conference on Crystal Growth and Epitaxy, 2023.07.
7. Shun Yamakawa, Hirofumi Akamatsu, Akira Kusaba, Yoshihiro Kangawa, Theoretical exploration of widegap materials with the corundum structure for heteroepitaxy on alpha−Ga2O3, The 20th International Conference on Crystal Growth and Epitaxy, 2023.07.
8. Konrad Sakowski, Ashfaq Ahmad, Pawel Strak, Kosuke Sato, Kazuki Yamada, Motoaki Iwaya, Pawel Kempisty, Yoshihiro Kangawa, Jacek Piechota, Stanislaw Krukowski, Numerical simulations of AlGaN heterostructures with polarization-doping, The 6th International Workshop on Ultraviolet Materials and Devices, 2023.06.
9. A. Kusaba, Z. Ye, S. Nitta, K. Shiraishi, T. Kuboyama, Y. Kangawa, Tuning of ab-initio reaction rate in GaN metal-organic vapor phase epitaxy by Multiobjective Genetic Algorithm with High-Resolution Mass Spectrometry Data, International Workshop on Nitride Semiconductors (IWN 2022), 2022.10.
10. Konrad Sakowski, Kosuke Sato, Kazuki Yamada, Pawel Kempisty, Motoaki Iwaya, Pawel Strak, Yoshihiro Kangawa, Grzegorz Muziol, Jacek Piechota, Stanislaw Krukowski, Polarization-doping of AlGaN laser diodes in numerical simulations, European Materials Research Society, 2022 Fall Meeting, 2022.09.
11. Yoshihiro Kangawa, Innovations in the materials development process: process informatics, Campus Asia EEST 2022 Summer School, 2022.08.
12. Takahiro Kawamura, Kouhei Basaki, Satoshi Ohata, Toru Akiyama, and Yoshihiro Kangawa, First-principles calculation of optical properties of III-V nitride semiconductors, IWSingularity 2022 / ISWGPDs 2022, 2022.01.
13. Mauro Boero, Kana Ishisone, Kieu My Bui, Atsushi Oshiyama, Yoshihiro Kangawa, Kenji Shiraishi, Computics driven methods and applications to innovative materials for next-generation devices, IWSingularity 2022 / ISWGPDs 2022, 2022.01.
14. A. Kusaba, Y. Kangawa, Z. Ye, S. Nitta, K. Shiraishi, Tuning of Reaction Rate Constants for Trimethylgallium Decomposition by Multiobjective Genetic Algorithm with High-Resolution Mass Spectrometry Data, International Conference on Materials and Systems for Sustainability 2021 (ICMaSS 2021), 2021.11.
15. Y. Kangawa, A. Kusaba, P. Kempisty, Theoretical approach to unintentional oxygen doping during MOVPE of GaN:Mg and AlN:Mg, International Conference on Materials and Systems for Sustainability 2021 (ICMaSS 2021), 2021.11.
16. A. Kusaba, P. Kempisty, Y. Kangawa, First-principles study of Mg and O co-doping mechanism in the growth surface during GaN(0001) and AlN(0001) metalorganic vapor phase epitaxy, 32nd IUPAP Conference on Computational Physics (CCP 2021), 2021.08.
17. Daichi Yosho, Yoshihiro Kangawa, Surface coverage of impurities during GaN and AlN MOVPE, 13th International Symposium on Advanced Plasma Science and its Applications for Nitrides and Nanomaterials / 14th International Conference on Plasma-Nano Technology & Science, 2021.03.
18. Pawel Kempisty, Konrad Sakowski, Akira Kusaba, and Yoshihiro Kangawa, Quantitative compatibility of ab initio thermodynamics with real growth processes of III nitrides semiconductors, The 8th Asian Conference on Crystal Growth and Crystal Technology, 2021.03.
19. Yoshihiro Kangawa, Impurity incorporation mechanism in GaN MOVPE: ab initio-based approach, SPIE Photonic West OPTO, 2021.03.
20. Kieu My Bui, Yu-ichiro Matsushita, Kenta Chokawa, Mauro Boero, Yoshihiro Kangawa, Kenji Shiraishi, and Atsushi Oshiyama, Structures, electron states and reactions on growing surfaces and at device interfaces of SiC and GaN, International Symposium on Wide Gap Semiconductor Growth, Process and Device Simulation 2021 (ISWGPDs2021), 2021.01.
21. Mauro Boero, Kieu My Bui, Atsushi Oshiyama, Yoshihiro Kangawa, Kenji Shiraishi, First principles molecular dynamics as a tool to explore complex chemical reactions in GaN, International Symposium on Wide Gap Semiconductor Growth, Process and Device Simulation 2021 (ISWGPDs2021), 2021.01.
22. Pawel Kempisty, Stanislaw Krukowski, and Yoshihiro Kangawa, Ab initio atomistic thermodynamics of pseudo-hot surfaces in the context of GaN growth and doping, International Symposium on Wide Gap Semiconductor Growth, Process and Device Simulation 2021 (ISWGPDs2021), 2021.01.
23. Akira Kusaba and Yoshihiro Kangawa, More quantitative prediction of III-nitride growth: theoretical and data-driven approaches, International Symposium on Wide Gap Semiconductor Growth, Process and Device Simulation 2021 (ISWGPDs2021), 2021.01.
24. Takahiro Kawamura, Akito Korei, Kouhei Basaki, Toru Akiyama, Yoshihiro Kangawa, Izabela Gorczyca, Tadeusz Suski, Małgorzata Wierzbowska3 and Stanisław Krukowski, Change of the effective bandgaps of InN/AlN superlattices due to lattice distortion, International Symposium on Wide Gap Semiconductor Growth, Process and Device Simulation 2021 (ISWGPDs2021), 2021.01.
25. Konrad Sakowski, Kosuke Sato, Kazuki Yamada, Pawel Kempisty, Motoaki Iwaya, Pawel Strak, Yoshihiro Kangawa, Stanislaw Krukowski, On numerical simulations of polarization-doped AlGaN UV laser diodes, International Symposium on Wide Gap Semiconductor Growth, Process and Device Simulation 2021 (ISWGPDs2021), 2021.01.
26. Daichi Yosho, Yuriko Matsuo, Pawel Kempisty, Akira Kusaba, Yoshihiro Kangawa, Ab initio-based approach to GaN HVPE and THVPE processes: p-type doping and facet stability, International Symposium on Wide Gap Semiconductor Growth, Process and Device Simulation 2021, 2021.01.
27. Yoshihiro Kangawa, Modeling semiconductor epitaxy for next generation power device application, IMI Workshop on Fiber Topology Meets Applications, 2021.01.
28. D. Yosho, Y. Inatomi, and Y. Kangawa, A theoretical model for carbon coverage on GaN polar surfaces during MOVPE, 37th Electronic Materials Symposium, 2020.10.
29. A. Kusaba, Y. Kangawa, K. Norimatsu, and H. Miyake, Data Analysis for Sputtering and High-Temperature Annealing in AlN Templates Fabrication, 37th Electronic Materials Symposium, 2020.10.
30. Atsushi Oshiyama, Kieu My Bui, Mauro Boero, Yoshihiro Kangawa, and Kenji Shiraishi, Computics Approach toward Clarification of Atomic Reactions during Epitaxial Growth of GaN, 2020 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD), 2020.09.
31. Daichi Yosho, Fumiya Shintaku, Yoshihiro Kangawa, Jun-Ichi Iwata, Atsushi Oshiyama, Kenji Shiraishi, Atsushi Tanaka, Hiroshi Amano, Theoretical model for oxygen incorporation during step flow growth of GaN on vicinal m-GaN by MOVPE, The 8th International Conference on Light-Emitting Devices and Their Industrial Applications (LEDIA 2020), 2020.04.
32. Daichi Yosho, Yuya Inatomi, Yoshihiro Kangawa, Theoretical approach to carbon concentration on GaN(0001) and (000-1) surfaces during MOVPE, The 8th International Conference on Light-Emitting Devices and Their Industrial Applications (LEDIA 2020), 2020.04.
33. Pawel Kempisty, Yoshihiro Kangawa, First-principles phonon calculations as a method of improving the atomistic thermodynamics of III-nitrides surfaces, 5th Workshop on ab initio phonon calculations, 2019.12.
34. Fumiya Shintaku, Yoshihiro Kangawa, Jun-Ichi Iwata, Atsushi Oshiyama, Kenji Shiraishi, Atsushi Tanaka, and Hiroshi Amano, Theoretical approach to oxygen incorporation mechanism in vicinal m-GaN MOVPE, 2019 International Conference on Solid State Devices and Materials, 2019.09.
35. Fumiya Shintaku, Yoshihiro Kangawa, Jun-Ichi Iwata, Atsushi Oshiyama, Kenji Shiraishi, Atsushi Tanaka, Hiroshi Amano , Theoretical approach of oxygen incorporation into GaN grown on vicinal GaN(10-10), 1st International Workshop on AlGaN based UV-Laserdiodes, 2019.08.
36. Yoshihiro Kangawa, Unintentional doping in GaN MOVPE: A new theoretical model, 1st International Workshop on AlGaN based UV-Laserdiodes, 2019.08.
37. Konrad Sakowski, Numerical simulations of the electrical properties of AlGaN luminescent heterostructures, 1st International Workshop on AlGaN based UV-Laserdiodes, 2019.08.
38. Pawel Kempisty, Paweł Strąk, Konrad Sakowski, Yoshihiro Kangawa, and Stanisław Krukowski, Thermodynamics of vapor-surface equilibria in ab initio modelling of semiconductor growth processes, 19th International Conference on Crystal Growth and Epitaxy (ICCGE-19), 2019.07.
39. Yuto Okawachi, Kenta Chokawa, Masaaki Araidai, Akira Kusaba, Yoshihiro Kangawa, Koichi Kakimoto, Sheng Yo, Yoshio Honda, Shugo Nitta, Hiroshi Amano, Kenji Shiraishi, Study of the origins of carbon impurities on GaN MOVPE from a gas phase reaction perspective, 19th International Conference on Crystal Growth and Epitaxy (ICCGE-19), 2019.07.
40. Takashi Nakano, Kenta Chokawa, Masaaki Araidai, Kenji Shiraishi, Atsushi Oshiyama, Shigeyoshi Usami, Akira Kusaba, Yoshihiro Kangawa, Atsushi Tanaka, Yoshio Honda, Hiroshi Amano , Electronic Properties of GaN Nanopipe Threading Dislocation with m-plane Surface, 13th International Conference on Nitride Semiconductors 2019 (ICNS-13), 2019.07.
41. Yuya Inatomi, and Yoshihiro Kangawa, Theoretical study on step bunching instability during nitride semiconductor growth, 13th International Conference on Nitride Semiconductors 2019 (ICNS-13), 2019.07.
42. Takahiro Kawamura,Yuma Fujita, Yuya Hamaji, Toru Akiyama, Yoshihiro Kangawa, Izabela Gorczyca, Tadeusz Suski, Małgorzata Wierzbowska, and Stanisław Krukowski, First-Principles Calculation of Band Gaps of Al1-xInxN alloys and short period Al1-xInxN/Al1-yInyN superlattices
, 13th International Conference on Nitride Semiconductors 2019 (ICNS-13), 2019.07.
43. Yoshihiro Kangawa, Paweł Kempisty, and Kenji Shiraishi, A new theoretical approach to nitride crystal growth: impurity incorporation mechanism
, 13th International Conference on Nitride Semiconductors 2019 (ICNS-13), 2019.07.
44. Takashi Nakano, Kenta Chokawa, Masaaki Araidai, Kenji Shiraishi, Atsushi Oshiyama, Akira Kusaba, Yoshihiro Kangawa, Atsushi Tanaka, Yoshio Honda, Hiroshi Amano, Electronic structure analysis of the core structures of threading dislocations in GaN, Compound Semiconductor Week 2019, 2019.05, We have comprehensively studied the relation between threading core structures and electronic property in GaN thin films. We examined various core types of the threading dislocations. We found that both edge dislocations and screw dislocations do not cause the leakage currents in n-type GaN based devices because no defect level appears near the conduction band bottom..
45. S. Yamamoto, Y. Okawachi, P. Kempisty, Y. Kangawa, K. Shiraishi, Monte Carlo simulation of GaN MOVPE process: carbon incorporation mechanism, The 7th International Conference on Light-Emitting Devices and Their Industrial Applications (LEDIA2019), 2019.04.
46. Y. Inatomi, Y. Kangawa, Adatom Density on Polar GaN Surfaces During MOVPE, The 7th International Conference on Light-Emitting Devices and Their Industrial Applications (LEDIA2019), 2019.04.
47. Y. Inatomi, Y. Kangawa, Step bunching stability – instability diagram for nitride semiconductor growth, The 7th International Conference on Light-Emitting Devices and Their Industrial Applications (LEDIA2019), 2019.04.
48. Yoshihiro Kangawa, Paweł Kempisty, and Kenji Shiraishi, Ab initio-based approach to crystal growth of nitride semiconductors: alloy composition and impurity concentration, 4th Intensive Discussion on Growth of Nitride Semiconductors (IDGN-4), 2018.11.
49. Y. Inatomi, Y. Kangawa, A. Pimpinelli, and T. L. Einstein, Surface adatom density and lifetime on polar GaN surfaces during MBE and MOVPE: a theoretical approach, The International Workshop on Nitride Semiconductors 2018 (IWN 2018), 2018.11.
50. Pawel Kempisty, and Yoshihiro Kangawa, Systematic improvement of III-nitrides surface thermodynamics by including first principles phonon calculations, The International Workshop on Nitride Semiconductors 2018 (IWN 2018), 2018.11.
51. Akira Kusaba, Guanchen Li, Pawel Kempisty, Michael R. von Spakovsky, and Yoshihiro Kangawa, Non-equilibrium analysis of CH4 adsorption on GaN(0001) and (000−1): the growth orientation dependence of the C impurity concentration, The International Workshop on Nitride Semiconductors 2018 (IWN 2018), 2018.11.
52. Yuki Seta, Abdul Muizz Pradipto, Toru Akiyama, Kohji Nakamura, Tomonori Ito, Akira Kusaba, and Yoshihiro Kangawa, Thermodynamic analysis of semipolar GaN and AlN under metalorganic vapor phase epitaxy growth condition, The International Workshop on Nitride Semiconductors 2018 (IWN 2018), 2018.11.
53. Satoshi Yamamoto, Yuya Inatomi, Akira Kusaba, Pawel Kempisty, Kenji Shiraishi, and Yoshihiro Kangawa, Monte Carlo study of influence of MOVPE growth condition on carbon concentration in GaN epi-layer, The International Workshop on Nitride Semiconductors 2018 (IWN 2018), 2018.11.
54. Yuma Fujita, Yuya Hamaji, Takahiro Kawamura, Toru Akiyama, Yoshihiro Kangawa, Izabela Gorczyca, Tadeusz Suski, Malgorzata Wierzbowska, and Stanislaw Krukowski, First-Principles Investigation of Compositional Dependence of Band Gaps in AlN/InN and InN/GaN Superlattices, The International Workshop on Nitride Semiconductors 2018 (IWN 2018), 2018.11.
55. Hiroki Takeda, Takahiro Kawamura, Akira Kitamoto, Masayuki Imanishi, Masashi Yoshimura, Yusuke Mori, Yoshitada Morikawa, Yoshihiro Kangawa, and Koichi Kakimoto, First-principles analysis of oxygen adsorption on kinked GaN(0001) surface, The International Workshop on Nitride Semiconductors 2018 (IWN 2018), 2018.11.
56. Kieu My Bui, Jun-Ichi Iwata, Yoshihiro Kangawa, Kenji Shiraishi, Yasuteru Shigeta, and Atsushi Oshiyama, First-Principle Study of Nitrogen substitution on the GaN Surface in Metal Organic Vapor Phase Epitaxy, The International Workshop on Nitride Semiconductors 2018 (IWN 2018), 2018.11.
57. Subaru Komura, Kento Kawakami, Akira Kusaba, Katsunori Yoshimatsu, Naoya Okamoto, Yoshihiro Kangawa, Koichi Kakimoto, and Kenji Shiraishi, Multiphysics simulation of GaN MOVPE: Flow influence on GaN growthorientation, The International Workshop on Nitride Semiconductors 2018 (IWN 2018), 2018.11.
58. Izabela Gorczyca, Grzegorz Staszczak, Ewa Grzanka, Grzegorz Targowski, Tadek Suski, Niels Eged Christensen, Takahiro Kawamura, and Yoshikiro Kangawa, Modelling of Band Gaps in Short Period In(Ga)N/GaN Superlattices with Different Sequences of Barrier and Quantum Wells, The International Workshop on Nitride Semiconductors 2018 (IWN 2018), 2018.11.
59. Yoshihiro Kangawa, Paweł Kempisty, and Kenji Shiraishi, Ab initio based-approach to impurity incorporation mechanism in GaN MOVPE, The 6th Japan-China Symposium on Crystal Growth and Crystal Technology, 2018.10.
60. Yoshihiro Kangawa, Influence of surface reconstruction on the impurity incorporation in GaN MOVPE, Mathematical Aspects ofSurface and Interface Dynamics 16, 2018.10.
61. Y. Okawachi, K. Chokawa, M. Araidai, Y. Kangawa, K. Kakimoto, and K. Shiraishi, First Principles and Thermodynamic Studies on GaN MOVPE Processes, 9th International Workshop on Modeling in Crystal Growth, 2018.10.
62. S. Komura, K. Kawakami, Y. Yamamoto, A. Kusaba, K. Yoshimatsu, N. Okamoto, Y. Kangawa, K. Kakimoto, and K. Shiraishi , Flow Influence on GaN MOVPE Growth-orientation, 9th International Workshop on Modeling in Crystal Growth, 2018.10.
63. K. Kawakami, S. Komura, Y. Yamamoto, A. Kusaba, K. Yoshimatsu, N. Okamoto, Y. Kangawa, K. Kakimoto, K. Shiraishi, Methodology for multiphysics flow simulation in GaN MOVPE using thermodynamic analysis and first principles calculation for GaN deposition, 9th International Workshop on Modeling in Crystal Growth, 2018.10.
64. S. Komura, R. Oshima, K. Kawakami, K. Chokawa, Y. Yamamoto, K. Yoshimatsu, N. Okamoto, E. Makino, N. Hosokawa, S. Onda, Y. Kangawa, K. Kakimoto, K. Shiraishi, Multi-physics simulations of high-temperature CVD of SiC, European Conference on Silicon Carbide and Related Materials (ECSCRM 2018), 2018.09.
65. K. Chokawa, E. Makino, N. Hosokawa, S. Onda, Y. Kangawa, and K. Shiraishi, Thermodynamics analysis of high-temperature CVD of SiC, European Conference on Silicon Carbide and Related Materials (ECSCRM 2018), 2018.09.
66. Yoshihiro Kangawa, Pawel Kempisty, and Kenji Shiraishi, Theoretical study: Impurity incorporation in GaN MOVPE, The 7th International Symposium on Growth of III-Nitrides, 2018.08.
67. T. Kawamura, T. Akiyama, Y. Kangawa, Compositional Dependence of Band Gaps in III-Nitride Semiconductor Superlattices, The 7th International Symposium on Growth of III-Nitrides, 2018.08.
68. S. Yamamoto, Y. Inatomi, A. Kusaba, P. Kempisty, Y. Kangawa, Monte Carlo simulation of carbon incorporation in GaN MOVPE, The 7th International Symposium on Growth of III-Nitrides, 2018.08.
69. Y. Inatomi, Y. Kangawa, A theoretical model for carbon incorporation during step-flow growth of GaN by MOVPE, The 7th International Symposium on Growth of III-Nitrides, 2018.08.
70. Pawel Kempisty, Yoshihiro Kangawa, Stanislaw Krukowski, Contribution of first principles phonon calculations to thermodynamics analysis of GaN surfaces, The 7th International Symposium on Growth of III-Nitrides, 2018.08.
71. Yuto Okawachi, Kazuki Sekiguchi, Kenta Chokawa, Masaaki Araidai, Mitsuo Shoji, Yasuteru Shigeta, Yoshihiro Kangawa, Koichi Kakimoto, and Kenji Shiraishi, First Principles and Thermodynamic Studies on GaN MOVPE Processes, The 7th International Symposium on Growth of III-Nitrides, 2018.08.
72. A. Kusaba, G. Li, M. R. von Spakovsky, P. Kempisty, Y. Kangawa, Relationship between the CH4 Adsorption Probability and the C Impurity Concentration in the Polar-GaN MOVPE System, The 7th International Symposium on Growth of III-Nitrides, 2018.08.
73. Y. Kangawa, P. Kempisty, S. Krukowski, K. Shiraishi, K. Kakimoto, Surface reconstruction and impurity incorporation in GaN MOVPE: Ab initio-based modeling, The 19th International Conference on MOVPE (ICMOVPE-XIX), 2018.06.
74. Thi Kieu My Bui, Jun-Ichi Iwata, Yoshihiro Kangawa, Kenji Shiraishi, Yasuteru Shigeta, and Atsushi Oshiyama , First-principle study of ammonia decomposition and nitrogen incorporation on the GaN surface in Metal Organic Vapor Phase Epitaxy
, The 19th International Conference on MOVPE (ICMOVPE-XIX), 2018.06.
75. Kenji Shiraishi, Katsunori Yoshimatsu, Naoya Okamoto, Yoshihiro Kangawa, Koichi Kakimoto, Multi-Physics Simulations of GaN MOVPE, The 19th International Conference on MOVPE (ICMOVPE-XIX), 2018.06.
76. Takahiro Kawamura, Akira Kitamoto, Mamoru Imade, Masashi Yoshimura, Yusuke Mori, Yoshitada Morikawa, Yoshihiro Kangawa, Koichi Kakimoto, First-Principles Calculations of GaN Surface Structures under OVPE Growth Conditions and Desorption Energies of Oxygen Impurities, The 19th International Conference on MOVPE (ICMOVPE-XIX), 2018.06.
77. Y. Inatomi, A. Kusaba, Y. Kangawa, K. Kojima, S. F. Chichibu, Formation mechanism of singular structure in AlInN layer grown on m-GaN substrate by MOVPE, The 6th International Conference on Light-Emitting Devices and Their Industrial Applications, 2018.04.
78. Y. Kangawa, P. Kempisty, K. Shiraishi, Modeling and process design of III-nitride MOVPE, The 6th International Conference on Light-Emitting Devices and Their Industrial Applications, 2018.04.
79. Akira Kusaba, Yoshihiro Kangawa, Kenji Shiraishi, Driving force for m-plane GaN MOVPE: a new thermodynamic modeling, ISPlasma2018/IC-PLANTS2018, 2018.03.
80. Yoshihiro Kangawa, Impurity incorporation mechanism in GaN MOVPE: ab initio based−approach, KAUST EE Seminar, 2018.03.
81. Y. Kangawa, P. Kempisty, K. Shiraishi, K. Kakimoto, Theory of GaN MOVPE process considering surface reconstruction, SPIE Photonics Wese OPTO, 2018.01, III-Nitride semiconductors are attractive materials for optoelectronic devices including LEDs and LDs. To enhance the device performances, it is important to improve the crystalline quality of the films. The knowledge of atomistic-scale phenomena is indispensable to optimize the growth conditions. In the present work, we investigated the surface phase diagram in GaN(0001) and GaN(000-1) MOVPE, i.e., the reconstructed structures on the growth surfaces in GaN MOVPE, by an ab initio-based approach. The obtained surface phase diagram is useful to optimize the growth conditions. Furthermore, we studied the relationships among the growth conditions, surface reconstructions, and impurity incorporation in GaN MOVPE..
82. Martin Rittner, Ulrich Kessler, Samuel Araujo, Sebastian Mansfeld, Jörg Naundorf, Kai Kriegel, Martin Schulz, Hideto Miyake, Yoshihiro Kangawa, Gaudenzio Meneghesso, Power module concepts for innovative reliable nitride based power devices and applications - The EU public funded project ‘InRel-NPower‘-, 31st International Electric Vehicle Symposium and Exhibition, EVS 2018 and International Electric Vehicle Technology Conference 2018, EVTeC 2018, 2018.01.
83. K. Sekiguchi, H. Shirakawa, K. Chokawa, M. Araidai, Y. Kangawa, K. Kakimoto, K. Shiraishi, Thermodynamic Analysis of the TMG Decomposition Process in GaN MOVPE, 2017 MRS Fall Meeting, 2017.11.
84. Y. Inatomi, Y. Kangawa, S. F. Chichibu, K. Kakimoto, Theoretical study of composition pulling effect in AlGaN and AlInN MOVPE
, International Workshop on UV Materials and Devices 2017 (IWUMD 2017), 2017.11.
85. A. Kusaba, G. Li, M. R. von Spakovsky, Y. Kangawa, K. Kakimoto, Adsorption of ammonia in III-nitrides vapor phase epitaxy: theoretical approach based on steepest-entropy-ascent quantum thermodynamics, International Workshop on UV Materials and Devices 2017 (IWUMD 2017), 2017.11.
86. Y. Inatomi, Y. Kangawa, K. Kakimoto, A kinetic−thermodynamic theory in step−flow growth of compound semiconductor: Application to impurity incorporation in GaN MOVPE, 大阪電気通信大学国際ワークショップ, 2017.10.
87. A. Kusaba, Y. Kangawa, P. Kempisty, K. Shiraishi, K. Kakimoto, A. Koukitu, Thermodynamic Modeling of GaN MOVPE: Contribution of Surface State, International Conference on Materials and Systems for Sustainability 2017, 2017.09.
88. P. Kempisty, Y. Kangawa, K. Shiraishi, S. Krukowski, M. Bockowski, K. Kakimoto, H. Amano, Stability of the carbon and oxygen impurities in the subsurface layer near the polar GaN surface, International Conference on Materials and Systems for Sustainability 2017, 2017.09.
89. K. Kawakami, Y. Yamamoto, K. Yoshimatsu, N. Okamoto, Y. Kangawa, K. Kakimoto, K. Shiraishi, A Methodology for Multiphysics Simulation of Gallium Nitride MOVPE Method using Thermodynamic Analysis of Driving Force of Gallium Nitride Crystal Growth
, International Conference on Materials and Systems for Sustainability 2017, 2017.09.
90. Y. Yamamoto, K. Kawakami, K. Yoshimatsu, N. Okamoto, Y. Kangawa, K. Kakimoto, K. Shiraishi, Multiphysics Flow Simulation with Appropriate Conditions Predicted by Thermodynamic Analysis of Driving Force of GaN Crystal Growth
, International Conference on Materials and Systems for Sustainability 2017, 2017.09.
91. K. Sekiguchi, H. Shirakawa, K. Chokawa, M. Araidai, Y. Kangawa, K. Kakimoto, K. Shiraishi, Thermodynamic Analysis of the Surface Reactions in GaN MOVPE, 2017 International Conference on Solid State Devices and Materials, 2017.09.
92. A. Kusaba, Guanchen Li, Michael R. von Spakovsky, Y. Kangawa, K. Kakimoto, Steepest-entropy-ascent quantum thermodynamic modeling of NH3 chemical adsorption on GaN(0001) reconstructed surfaces under metalorganic vapor phase epitaxy conditions, E-MRS, 2017.09.
93. Y. Yamamoto, K. Kawakami, K. Yoshimatsu, N. Okamoto, Y. Kangawa, K. Kakimoto, K. Shiraishi, Multi-physics flow simulation satisfying appropriate conditions on GaN deposition predicted by a thermodynamic analysis of the deposition driving force, 12th International Conference on Nitride Semiconductors (ICNS-12), 2017.07.
94. K. Kawakami, Y. Yamamoto, K. Yoshimatsu, N. Okamoto, Y. Kangawa, K. Kakimoto, K. Shiraishi, A methodology for multiphysics simulation of GaN MOVPE using thermodynamic analysis of driving force for the deposition of GaN, 12th International Conference on Nitride Semiconductors (ICNS-12), 2017.07.
95. K. Sekiguchi, H. Shirakawa, K. Chokawa, M. Araidai, Y. Kangawa, K. Kakimoto, K. Shiraishi, Thermodynamic Analysis of the TMG Decomposition Process Considering the Activation Energy, 12th International Conference on Nitride Semiconductors (ICNS-12), 2017.07.
96. Y. Inatomi, Y. Kangawa, T. Ito, T. Suski, K. Kakimoto, A. Koukitu, Thermodynamic analysis of InGaN MOVPE: influence of lattice constraint, 12th International Conference on Nitride Semiconductors (ICNS-12), 2017.07.
97. P. Kempisty, Y. Kangawa, K. Shiraishi, S. Krukowski, M. Bockowski, K. Kakimoto, H. Amano, Density Functional Theory study on stability of carbon and oxygen at GaN(0001) and GaN(000-1) surfaces, 12th International Conference on Nitride Semiconductors (ICNS-12), 2017.07.
98. Y. Kangawa, Innovation of AlN solution growth technique, Workshop on Ultra-Precision Processing for Wide Bandgap Semiconductors (WUPP 2016), 2016.10.
99. Y. Kangawa, Ab Initio-Based Approach to Crystal Growth of Nitride Semiconductors: Contribution of Growth Orientation and Surface Reconstruction, International Workshop on Nitride Semiconductors 2016, 2016.10, It is known that the growth process of semiconductors depends on the growth conditions such as growth temperature, partial pressures of gaseous sources, and growth orientation. To improve the crystalline quality of thin films, many experimentalist have studied the relationships between growth processes and growth conditions. A lot of technical knowledges and know-how to optimize the growth conditions have been reported. However, there is no discussion about atomistic-scale phenomena because in situ observations using electron beam is difficult in case of MOVPE and HVPE system. The knowledge of atomistic-scale phenomena is indispensable to control the growth process more precisely. Ab initio calculation is a powerful technique for modelling and analysis of atomistic-scale phenomena. The conventional ab initio calculation has been applicable to the analysis of stable surface reconstruction at absolute zero. In 2001, we proposed an ab initio-based approach that incorporates the gas-phase free energy. The theoretical approach is useful for analyzing the influence of the growth temperature and the partial pressures on the stability of the surface reconstructions. Transition of surface reconstruction on various surface orientations brings change in surface energy, i.e., change in relative stability among various surface orientations which induces facet formation. A surface phase diagram obtained by the theoretical approach is valuable in the optimization of the growth conditions and the acceleration of material development. In the present talk, I introduce how to make the surface phase diagram of nitride semiconductors by the theoretical approach..
100. A. Kusaba, Y. Kangawa, M. R. von Spakovsky, K. Shiraishi, K. Kakimoto, A. Koukitu, Influence of Growth Orientation on Driving Force for InN Deposition by MOVPE, International Workshop on Nitride Semiconductors 2016, 2016.10.
101. K. Sekiguchi, H. Shirakawa, Y. Yamamoto, M. Araidai, Y. Kangawa, K. Kakimoto, K. Shiraishi, Consideration of MOVPE Growth Process of GaN by First Principles Calculations and Thermodynamic Analysis
, International Workshop on Nitride Semiconductors 2016, 2016.10.
102. Y. Kangawa, First Principles Based Simulation for Compound Semiconductor Growth Processes, 2016 International Conference on Solid State devices and Materials (SSDM 2016) Short Course, 2016.09, In this lecture, I introduce how to make the surface phase diagram of nitride semiconductors by an ab initio-based approach..
103. K. Sekiguchi, H. Shirakawa, K. Chokawa, Y. Yamamoto, M. Araidai, Y. Kangawa, K. Kakimoto, K. Shiraishi, First Principle and Thermodynamic Analysis of MOVPE Growth of GaN and AlN, 2016 International Conference on Solid State devices and Materials (SSDM2016), 2016.09.
104. K. Yoshimatsu, N. Okamoto, Y. Kangawa, K. Kakimoto, K. Shiraishi, Computational fluid dynamic approach coupled with thermodynamic analysis of driving force for deposition in GaN MOVPE, The 18th International Conference on Crystal Growth and Epitaxy (ICCGE18), 2016.08.
105. T. Tamura, A. Kusaba, Y. Kangawa, T. Ito, T. Suski, K. Kakimoto, A. Koukitu, Contribution of lattice constraint to indium incorporation during coherent growth of InGaN, The 18th International Conference on Crystal Growth and Epitaxy (ICCGE18), 2016.08.
106. A. Kusaba, Y. Kangawa, K. Kakimoto, K. Shiraishi, H. Amano, A. Koukitu, Thermodynamic analysis of InN metalorganic vapor phase epitaxy: influence of growth orientation and surface reconstruction, The 18th International Conference on Crystal Growth and Epitaxy (ICCGE18), 2016.08.
107. H. VALENCIA, Y. Kangawa, K. Kakimoto, MOCDV and CBE of GaAs1-xNx modeled by ab initio stabilities of (100) surfaces under As2, H2, and N2, The 18th International Conference on Crystal Growth and Epitaxy (ICCGE18), 2016.08.
108. A. Kusaba, Y. Kangawa, Y. Honda, H. Amano, K. Kakimoto, Ab initio-based approach to surface reconstruction on InN(0001) during induced-pressure MOVPE
, The 6th International Symposium on Growth of III-Nitrides (ISGN-6), 2015.11.
109. A. Kusaba, Y. Kangawa, S. Krukowski, K. Kakimoto, Relationship between stability of facet surfaces and incorporation of zinc-blende phase in InN during pressurized reactor MOVPE: A theoretical approach, Fifth European Conference on Crystal Growth (ECCG-5), 2015.09.
110. Y. Kangawa, H. Miyake, M. Bockowski, K. Kakimoto, Development of in-situ observation system for high-temperature liquid/solid interfaces: application to solid-source solution growth of AlN, Fifth European Conference on Crystal Growth (ECCG-5), 2015.09.
111. Y. Kangawa, H. Miyake, M. Bockowski, K. Kakimoto, Development of in situ observation system for liquid/solid interface during solution growth of AlN, Workshop on Ultra-Precision Processing for Wide Bandgap Semiconductors (WUPP2015), 2015.08.
112. Y. Kangawa, K. Kakimoto, Theoretical aspects in growth of In-rich InGaN, SPIE 2015 Photonics West, 2015.02.
113. Y. Kangawa, K. Kakimoto, Theoretical approach to growth mechanisms of InN by vapor phase epitaxy, 2nd Intensive Discussion on Growth of Nitride Semiconductors (IDGN-2), 2014.10.
114. H. Sumiyoshi, Y. Kangawa, S. F. Chichibu, M. Knetzger, E. Meissner, Y. Iwasaki, K. Kakimoto, CL studies of AlN/AlN(0001) grown by solid source solution growth method, International Workshop on Nitride Semiconductors 2014 (IWN2014), 2014.08.
115. Y. Kangawa, T. Hamada, T. Kimura, R. Katayama, T. Matsuoka, K. Kakimoto, Theoretical study on structural stability of InN grown by pressurized-reactor MOVPE, 33rd Electronic Materials Symposium, 2014.07.
116. Y. Kangawa, T. Hamada, T. Kimura, R. Katayama, T. Matsuoka, K. Kakimoto, Structural Phase Diagram of InN by Pressurized-Reactor MOVPE: A Theoretical Study, The 5th International Conference on White LEDs and Solid State Lighting (WLED-5), 2014.06.
117. H. Suetsugu, Y. Kangawa, S. Nagata, K. Kakimoto, Influence of growth direction on threading dislocation annihilation process in AlN grown by 3SG method, 6th KAIST-Kyushu University Symposium on Aerospace Engineering, 2013.11.
118. VALENCIA HUBERT, 寒川 義裕, 柿本 浩一, Stabilities of GaAs(100) Surfaces under As2, H2, and N2 Conditions as a Model for Vapor-Phase Epitaxy of GaAs1-xNx: a First-Principles Study, 第43回結晶成長国内会議（NCCG43）, 2013.11.
119. Y. Kangawa, S. Nagata, K. Kakimoto, Microstructure of AlN/AlN(0001) grown by solid-source solution growth (3SG) method, 8th International Workshop on Bulk Nitride Semiconductors (IWBNS-VIII), 2013.10.
120. M. Inoue, Y. Kangawa, H. Kageshima, S. Tanaka, K. Kakimoto, Designing vicinal direction of SiC(0001) for epitaxial graphene growth, The International Conference on Silicon Carbide and Related Materials (ICSCRM2013), 2013.09.
121. Y. Kangawa, S. Nagata, B. M. Epelbaum, K. Kakimoto, Dislocation propagation behavior in AlN grown by solid-source solution growth (3SG) method, JSAP-MRS Joint Symposia, 2013.09.
122. M. Inoue, Y. Kangawa, H. Kageshima, K. Kakimoto, Structural control of C clustering at SiC(0001) steps, JSAP-MRS Joint Symposia, 2013.09.
123. T. Kawamura, H. Hayashi, M. Amekawa, Y. Suzuki, Y. Kangawa, K. Kakimoto, Investigation of growth process of MBE growth of GaN under Ga-rich conditions by molecular dynamics
, JSAP-MRS Joint Symposia, 2013.09.
124. T. Yayama, Y. Kangawa, K. Kakimoto, The orientation dependence of In incorporation of InGaN: The role of N-H layer
, JSAP-MRS Joint Symposia, 2013.09.
125. M. Inoue, Y. Kangawa, H. Kageshima, K. Kakimoto, Structural controllability of C clusters by template effect of SiC step, 17th International Conference on Crystal Growth and Epitaxy (ICCGE-17), 2013.08.
126. H. Valencia, Y. Kangawa, K. Kakimoto, Ab initio Study of GaAs(100) Surfaces Under As2, H2, and N2 Influence, as a Model for Vapor-Phase Epitaxy of GaAs1-xNx, 17th International Conference on Crystal Growth and Epitaxy (ICCGE-17), 2013.08.
127. Y. Kangawa, S. Nagata, B. M. Epelbaum, K. Kakimoto, Influence of growth orientation on microstructure of AlN grown by solid-source solution growth (3SG) method, 17th International Conference on Crystal Growth and Epitaxy (ICCGE-17), 2013.08.
128. Y. Kangawa, Innovation on Solution Growth Technique of Bulk AlN
, Colloquium in Fraunhofer IISB , 2013.04.
129. T. Kawamura, T. Miki, Y. Suzuki, Y. Kangawa, K. Kakimoto, Development of molecular dynamics simulation for molecular beam epitaxy of GaN under Ga-rich conditios, International Workshop on Nitride Semiconductors (IWN2012), 2012.10.
130. M. Inoue, H. Kageshima, Y. Kangawa, K. Kakimoto, First principles approach to C aggregation process during 0th graphene growth on SiC(0001), International Conference on the Physics of Semiconductors (ICPS 2012), 2012.07.
131. Y. Kangawa, Influence of substrate orientation on In incorporation efficiency of InGaN grown by MOVPE -Theoretical approach on growth process/kinetics of InGaN-, 16th International Conference on MetalOrganic Vapor Phase Epitaxy (ICMOVPE-16), 2012.05.
132. Y. Kangawa, T. Yayama, K. Kakimoto, A. Koukitu, Control of In composition in InGaN thin films for multi-junction solar cells, International Symposium on Innovative Solar Cells 2009, 2009.03.
133. Y. Kangawa, K. Kakimoto, Theoretical approach to control of In composition in InGaN for multijunction solar cells, Super high efficiency solar cell workshop, 2009.02.
134. Y. Kangawa, K. Kakimoto, T. Ito, A. Koukitu, Numerical study of relationship between growth condition and atomic arrangement of InGaN , International Workshop on Nitride Semiconductors 2006, 2006.10.
135. Y. Kangawa, T. Ito, A. Taguchi, K. Shiraishi, Y. S. Hiraoka, T. Irisawa, T. Ohachi, Ab initio-based approach to adsorption-desorption behavior during GaAs epitaxial growth, International Workshop on Atomic-Scale Surface Dynamics of Advanced Materials, 2001.11.
136. Y. Kangawa, T. Ito, Y. S. Hiraoka, A. Taguchi, K. Shiraishi, T. Ohachi, Theoretical investigation for As pressure dependence of GaAs growth rate, 20th European Conference on Surface Science, 2001.09.
137. T. Ito, Y. Kangawa, A. Kobayashi, Theoretical investigations of thermodynamic stability for Si1-x-yGexCy, The 13th International Conference on Crystal Growth, 2001.07.
138. T. Ito, Y. Kangawa, K. Tsutsumida, An empirical potential approach to wurtzite-zinc blende structural stability of semiconductors, The 13th International Conference on Crystal Growth, 2001.07.
139. Y. Kangawa, T. Ito, A. Taguchi, K. Shiraishi, T. Ohachi, Empirical interatomic potential calculations for relative stability of Ga adatom on GaAs(100) and (n11)A surfaces, The 13th International Conference on Crystal Growth, 2001.07.
140. Y. Kangawa, T. Ito, A. Taguchi, K. Shiraishi, T. Irisawa, T. Ohachi, Monte Carlo simulation for temperature dependence of Ga diffusion length on GaAs(001), 8th International Conference on the Formation of Semiconductor Interfaces, 2001.06.
141. T. Ito, Y. Kangawa, K. Shiraishi, A. Taguchi, Empirical potential-based approach for understanding epitaxial growth of aemiconductors , The 5th Symposium on Atomic-Scale Surface and Interface Dynamics, 2001.03.
142. Y. Kangawa, T. Ito, A. Mori, A. Koukitu, Empirical Interatomic potential calculation for comositional instability of InGaN thin films grown on GaN and InN, The 5th Symposium on Atomic-Scale Surface and Interface Dynamics, 2001.03.
143. Y. Kangawa, T. Ito, A new empirical interatomic potential for compound semiconductors and its application to thermodynamic stabilities, 27th International Symposium on Compound Semiconductors, 2000.12, We proposed a new empirical interatomic potential for compound semiconductors applicable to estimation of subtle energy difference. The potential was devised to incorporate the interactions between atoms beyond 3rd neighbors by considering electrostatic contributions. The versatility of the potential was confirmed by the calculation of relative stabilities between wurtzite and zinc blende structures. Using the new potential, we also worked out the excess energies for InxGa1-xN/GaN and InxGa1-xN/InN in order to investigate thermodynamic stabilities. We found that the excess energy maximum drastically shifted toward x∼0.80 for InGaN/GaN and x∼0.10 for InGaN/InN due to the lattice constraint from the bottom layer in contrast with x∼0.50 for bulk..
144. Y. Kangawa, T. Ito, A new empirical interatomic potential for compound semiconductors and its application to thermodynamic stabilities, 27th International Symposium on Compound Semiconductors , 2000.10.
145. A. Taguchi, K. Shiraishi, T. Ito, Y. Kangawa, Theoretical investigation of adatom adsorption on the As-stabilized GaAs(111)A surface, International Symposium on Surface and Interface, 2000.10.
146. Y. Kangawa, T. Ito, A. Taguchi, K. Shiraishi, T. Ohachi, A new theoretical approach to adsorption-desorption behavior of Ga on GaAs surfaces, International Symposium on Surface and Interface, 2000.10.
147. Y. Kangawa, T. Ito, A. Mori, A. Koukitu, Empirical Interatomic potential calculation for compositional instability of III-V nitride alloys in lattice mismutch systems, International Workshop on Nitride Semiconductors 2000, 2000.09.
148. Y. Kangawa, K. Wakizono, Noriyuki Kuwano, K. Oki, T. Ito, Formation mechanisms of Al-segregated region on InAlAs/(110)InP, The 1st Asian Conference on Crystal Growth and Crystal Technology, 2000.08.
149. Y. Kangawa, Noriyuki Kuwano, K. Oki, Numerical calculation with empirical interatomic potential for formation mechanism of AuAu-I type ordered structure in InGaAs/(110)InP, International Symposium on Control of Semiconductor Interfaces, 1999.10.
150. Y. Kangawa, N. Kuwano, K. Oki, Theoretical investigation for ordering mechanism of InGaAs/(110)InP using empirical interatomic potential, 18th Electronic Materials Symposyum, 1999.06.
151. Y. Kangawa, M. Suenaga, N. Kuwano, K. Oki, Empirical Interatomic potential calculation for ordering mechanism of InGaAs/(110)InP, International Conference on Solid-Solid Transformation '99, 1999.05.
152. Y. Kangawa, N. Kuwano, K. Oki, Empirical interatomic potential calculation for InGaAs/(110)InP and its application to CuAu-I type ordered structure stability, 17th Electronic Materials Symposium, 1998.07.
153. Y. Kangawa, C. Kojima, N. Kuwano, K. Oki, TEM observations for the formation mechanism of microstructures in InAlAs/(110)InP, 16th Electronic Materials Symposium, 1997.07.
154. C. Kojima, Y. Kangawa, N. Kuwano, K. Oki, TEM observation of microstructures in InAlAs/(110)InP, The Asian Science Seminar on New Direction in Transmission Electron Microscopy and Nano-characterization of Materials, 1997.03.


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