半導体材料科学研究室

2021年
(1) Toru Akiyama, Takahiro Kawamura, Tomonori Ito, "Computational discovery of stable　phases of graphene and h-BN van der Waals heterostructures composed of group III-V binary compounds", Applied Physics Letters, Vol. 118, No. 23, 23101 2021
(2) Tsunashi Shimizu, Toru Akiyama, Kohji Nakamura, Tomonori Ito, Hiroyuki Kageshima, Masashi Uematsu, Kenji Shiraishi, "Reaction of NO molecule at 4H-SiC/SiO2 interface: an ab initio study for the effect of NO annealing after dry oxidation", Japanese Journal of Applied Physics, Vol. 60, No. 12, SBBD10 2021
(3)  Toru Akiyama, Kazuhiro Yonemoto, Fumiaki Hishiki, Tomonori Ito, "Effect of surface structural change on adsorption behavior on InAs wetting layer surface grown on GaAs(001) substrate", Journal of Crystal Growth, Vol. 570, 126233 2021
(4) Toru Akiyama, Takumi Ohka , Katsuya Nagai , Tomonori Ito, "Effect of step edges on the adsorption behavior on vicinal AlN(0001) surface during metal-organic vapor phase epitaxy: an ab initio study", Journal of Crystal Growth, Vol. 571, 126244 2021
(5) Toru Akiyama, Atsutaka Nakatani, Tsunashi Shimizu, Takumi Ohka , Tomonori Ito, "Effective approach for calculating individual energy of step edges on polar AlN(0001) and GaN(0001) surfaces", Japanese Journal of Applied Physics, Vol. 60, No. 8, 08701 2021
(6) Tsunashi Shimizu, Toru Akiyama, Tomonori Ito, Hiroyuki Kageshima, Masashi Uematsu, Kenji Shiraishi, "Ab initio-based approach for the oxidation mechanisms at SiO2/4H-SiC interface:  Interplay of dry and wet oxidants during interfacial reaction", Physical Review Materials, Vol. 61, No. 5, 55503 2021

2022年
(1) Takahiro Kawamura, Toru Akiyama, "Bandgap engineering of a-Ga2O3 by hydrostatic, uniaxial, and equibiaxial strain", Japanese Journal of Applied Physics, Vol. 60, No. 2, 21005 2022
(2) 影島博之， 秋山亨， 白石賢二， 植松真司, "シリコン原子はどこへ行く? まだまだ不思議な熱酸化", 応用物理 Vol. 91, No. 3, 155-159 2022
(3) Toru Akiyama, Tsunashi Shimizu, Tomonori Ito, Hiroyuki Kageshima, Kenji Shiraishi, "Ab initio study for orientation dependence of nitrogen incorporation at 4H-SiC/SiO2 interfaces", Japanese Journal of Applied Physics, Vol. 61, No. SH, SH1002 2022
(4) Katsuhide Niki, Toru Akiyama, Tomonori Ito, "An ab initio-based approach for the formation of pyramidal inversion domain boundaries in highly Mg-doped GaN", Japanese Journal of Applied Physics, Vol. 61, No.5, 05503 2022
(5) Fumiaki Hishiki, Toru Akiyama, Takahiro Kawamura, Tomonori Ito, "Structures and stability of GaN/Ga2O3 interfaces: a first-principles study", Japanese Journal of Applied Physics, Vol. 61, No. 6, 65501 2022
(6) Toru Akiyama, Tsunashi Shimizu, Tomonori Ito, Hiroyuki Kageshima, Kenji Shiraishi, "Reaction of nitrous oxide and ammonia molecules at 4H-SiC/SiO2 interface: An ab initio study", Surface Science, Vol. 723, 122102 2022
(7) Satoshi Ohata, Takahiro Kawamura, Toru Akiyama, Shigeyoshi Usami, Masayuki Imanishi, Masashi Yoshimura, Yusuke Mori, Tomoaki Sumi, Junichi Takino, "Influence of oxygen-related defects on the electronic structure of GaN", Japanese Journal of Applied Physics, Vol. 61, No. 6, 61004 2022

2023年
(1) Haruka Sokudo, Toru Akiyama, Tomonori Ito, "First-principles study for self-limiting growth of GaN layers on AlN(0001) surface", Japanese Journal of Applied Physics, Vol. 62, No. SC, SC1014 2023
(2) Shuri Fujita, Toru Akiyama , Takahiro Kawamura , and Tomonori Ito, "Effect of lattice constraint on structural stability and miscibility of (AlxGa1−x)2O3 films: a first-principles study", Japanese Journal of Applied Physics, Vol. 62, No. SC, SC1031 2023
(3) Toru Akiyama, Takahiro Kawamura, Tomonori Ito, "Role of charged oxygen vacancies and substrate lattice constraint on structural stability of Ga2O3 polymorphs", Applied Physics Express, Vol. 16, No. 1, 015508 2023
(4) Atsushi Kobayashi, Shunya Kihira, Toru Akiyama, Takahiro Kawamura, Takuya Maeda, Kohei Ueno, and Hiroshi Fujioka, "Epitaxial Junction of Inversion Symmetry Breaking AlN and Centrosymmetric NbN: A Polarity Control of Wide-Bandgap AlN", ACS Applied Electronic Materials, Vol. 5, No. 1, 240 2023
(5) Hiroyuki Kageshima, Toru Akiyama, Kenji Shiraishi, "First-principles study on silicon emission from interface into oxide during silicon thermal oxidation", Materials Science in Semiconductor Processing, Vol. 5, 107527 2023
(6) T. Kawamura, K. Basaki, A. Korei, T. Akiyama, "Bandgap Change in Short-Period InN/AlN Superlattices Induced by Lattice Strain", Physica Status Solidi, B, Vol. 260,  No. 8, 2200549 2023
(7) T. Kawamura, T. Akiyama, Y. Kangawa, "First-principles calculations of a-Ga2O3/Al2O3 superlattice band structures", Journal of Crystal Growth, Vol. 626, 127477 2023
(8) 秋山亨， 伊藤智徳, "III族窒化物エピタキシャル成長における成長様式の理論解析", 日本結晶成長学会誌 50, 50-1-04 2023
(9) 河村貴宏， 秋山亨， 宇佐美茂佳， 今西正幸， 吉村政志， 森勇介， 森川良忠， 寒川義裕,  "OVPE 成長条件下における GaN 表面構造と点欠陥が GaN の光学特性へ与える影響", 日本結晶成長学会誌 50, 50-1-02 2023

2024年
(1) S. Matsuda, T. Akiyama, T. Hatakeyama, K. Shiraishi, T. Nakayama, "First-principles study for orientation dependence of band alignments at the 4H-SiC/SiO2 interface", Japanese Journal of Applied Physics, Vol. 63, No. 2, 02SP69 2024
(2) T. Akiyama, K. Kawamura, "Ab initio study for adsorption behavior on AlN(0001) surface with steps and kinks during metal-organic vapor-phase epitaxy", Japanese Journal of Applied Physics, Vol. 63, No. 2, 02SP71 2024
(3) T. Sasaki, T. Iwata, K. Sugitani, T. Kawamura, T. Akiyama, M. Takahashi, "Temperature dependence of liquid-gallium ordering on the surface of epitaxially grown GaN", Appl. Phys. Express, Vol. 17, No.2, 025502 2024
(4) T. Akiyama, H. Kageshima, K. Shiraishi, "Reaction of NO molecule at 4H-SiC/SiO2 interface and its orientation dependence: a first-principles study", Japanese Journal of Applied Physics, Vol. 63, No. 3, 03SP80 2024.
(5) H. Kageshima, T. Akiyama, K. Shiraishi, "First-principles study on barrier height of silicon　emission from interface into　oxide during silicon thermal oxidation", Japanese Journal of Applied Physics, Vol. 63, No. 4, 04SP08 2024
(6) Yuki Ogawa, Ryota Akaike, Jiei Hayama, Kenjiro Uesugi, Kanako Shojiki, Toru Akiyama, Takao Nakamura, Hideto Miyake, " Crystal orientation control of a-plane AlN films on r-plane sapphire fabricated by sputtering and high-temperature annealing", Journal of Applied Physics, Vol. 135, No. 19, 193106 2024
(7) T. Akiyama and T. Kawamura, "Structural Stability of Vicinal AlN(0001) and GaN(0001) Surfaces with Steps and Kinks under Metal−Organic Vapor-Phase Epitaxy Condition: A First-Principles Study", Crystal Growth & Design, Vol. 24, 5906-5915 2024
(8) T. Akiyama and T. Kawamura, "An Ab Initio Study for Oxygen Adsorption Behavior on Polar GaN Surfaces", Physica Status Solidi B, Vol.  261, 202400573  2024

2025年
(1) T. Miyamaoto, T. Akiyama, and T. Kawamura, "Theoretical Study on Structural Stability and Miscibility of ScAlN alloys: Effect of Lattice Constraints”, Japanese Journal of Applied Physics, 64, 01SP03 2025
(2)  A. Kobayashi, T. Maeda, T. Akiyama, T. Kawamura, Y. Honda, "Sputter Epitaxy of Transition Metal Nitrides: Advances in Superconductors, Semiconductors, and Ferroelectrics", Physca Status Solidi A, 2400896 2025
(3) Tomohiro Tamano  ; Kanako Shojiki ; Toru Akiyama ; Ryota Akaike ; Takao Nakamura, Hiroto Honda ; Eiki Sato ; Masahiro Uemukai ; Tomoyuki Tanikawa ; Ryuji Katayama ; Hideto Miyake, " Analysis of inversion-domain boundaries in four-layer polarity-inverted AlN structure", Applied Physics Letters, Vol. 126, 032108 2025