[A1-P304-01] Chemical Trends of Surface Reconstruction and Band Alignment for Nonmetallic Perovskite Oxides: A First-Principles Study

*Yasuhide Mochizuki¹, Ha-Jun Sung¹, Tomoya Gake¹, Fumiyasu Oba¹ (1. Tokyo Inst. of Tech. (Japan))

[A1-P304-02] Defect Formation and Carrier Compensation in La₂SnO₂S₃: A First-Principles Study

*Teruya Nagafuji¹, Tomoya Gake¹, Akira Takahashi¹, Soungmin Bae¹, Fumiyasu Oba¹ (1. Laboratory for Materials and Structures, Institute of Innovative Research, Tokyo Institute of Technology (Japan))

[A1-P304-03] First-Principles Lattice-Dynamics Calculations for Stable Surface Structure Exploration and Band Position of Diamond and Zincblende Structures

*Yuki Miyako¹, Yasuhide mochizuki¹, Toshihiro Isobe¹, Akira Nakajima¹ (1. Tokyo Inst. of Tech. (Japan))

[A1-P304-04] Systematic Analysis of Oxygen Vacancies in α-(Al_xGa_1-x)₂O₃ Alloys Using First-Principles Calculations

*Takanori Ishii¹, Akira Takahashi¹, Teruya Nagafuji¹, Fumiyasu Oba¹ (1. Tokyo Inst. of Tech. (Japan))

[A1-P304-05] Effect of Illumination Direction in Data Augmentation in Semantic Segmentation of Dislocation Clusters with Multicrystalline Silicon Wafer Images with embedded Crystallographic Orientation Information

*Hiroaki Kudo¹, Kentaro Kutsukake², Noritaka Usami¹ (1. Nagoya Univ. (Japan), 2. RIKEN (Japan))

[A1-P304-06] Formation process of asymmetric grain boundaries acting as dislocation sources in silicon revealed by STEM at elevated temperatures

*YUTAKA OHNO¹, Hikaru Saito², Jianbo Liang³, Tatsuya Yokoi⁴, Katsuyuki Matsunaga⁴, Naoteru Shigekawa³, Koji Inoue¹, Yasuyoshi Nagai¹, Satoshi Hata⁵ (1. IMR, Tohoku Univ. (Japan), 2. OMCE, Kusyu Univ. (Japan), 3. GSE, OMU (Japan), 4. GSE, Nagoya Univ. (Japan), 5. IGSES, Kushu Univ. (Japan))

[A1-P304-07] Artificial-neural-network potential for accurately predicting grain boundary thermodynamics

*Tatsuya Yokoi¹, Maya Matsuura¹, Yu Ogura¹, Katsuyuki Matsunaga^1,2 (1. Nagoya Univ. (Japan), 2. Japan Fine Ceramics Center (Japan))

[A1-P304-08] Artificial-neural-network descriptor and interatomic potential for accurately predicting interaction of lattice defects in Si

*Masami Uchida¹, Tatsuya Yokoi¹, Yu Ogura¹, Katsuyuki Matsunaga^1,2 (1. Nagoya Univ. (Japan), 2. Japan Fine Ceramics Center (Japan))

[A1-P304-09] Quantum Monte Carlo Method for Formation Energies Point Defects in Si

*Masahiro Yamada¹, Yu Ogura¹, Tatsuya Yokoi¹, Katsuyuki Matsunaga^1,2 (1. Nagoya Univ. (Japan), 2. Japan Fine Ceramics Center (Japan))

[A1-P304-10] Thermal Boundary Resistance Measurement of Structure Controlled Grain Boundaries by Laser Heterodyne Photothermal Displacement Method

*Tomoki Harada^1,2, Haruki Tajika³, Takahiro Iwakiri¹, Kentaro Kutsukake⁴, Noritaka Usami³, Tetsuo Ikari¹, Atsuhiko Fukuyama¹ (1. Univ. of Miyazaki (Japan), 2. JSPS Research Fellow (Japan), 3. Graduated School of Eng., Nagoya Univ. (Japan), 4. Center of Advanced Intelligence Project, RIKEN (Japan))

[A1-P304-11] Stability Analysis of Promising Ferrimagnetic Quaternary Heusler Alloys CoCrMnZ (Z=Al, Ga, Si, Ge): An ab-initio Study

*Tufan Roy¹, Masahito Tsujikawa², Masafumi Shirai^1,2 (1. Center for Science and Innovation in Spintronics, Core Research Cluster, Tohoku University, Sendai 980-8577 (Japan), 2. Research Institute of Electrical Communication, Tohoku University, Sendai 980-8577 (Japan))

[A1-P304-12] First-principles calculations of temperature-dependent electrical transport properties for Tunnel magnetoresistance (TMR) devices

*Hikari Shinya^1,2,3,4, Tetsuya Fukushima⁵, Hiroshi Katayama-Yoshida^1,4, Masafumi Shirai³ (1. Univ. of Tokyo (Japan), 2. Kyoto Univ. (Japan), 3. Tohoku Univ. (Japan), 4. Osaka Univ. (Japan), 5. AIST (Japan))

[A1-P304-13] Nano Artificial Alloys in a Bulk-Immiscible Ru-Cu System for Spin-Current Generation

*Cong He¹, Jieyuan Song^1,2, Zhenchao Wen¹, Hiroaki Sukegawa¹, Yoshio Miura¹, Tadakatsu Ohkubo¹, Yukio Nozaki³, Seiji Mitani^1,2 (1. National Institute for Materials Science (Japan), 2. University of Tsukuba (Japan), 3. Keio University (Japan))

[A1-P304-14] Control of Spin-torque Ferromagnetic Resonance Excitation Using Compositionally Graded Materials Consisting of Titanium and Tungsten

*Hayato Nakayama¹, Taisuke Horaguchi¹, Cong He², Hiroaki Sukegawa², Tadakatsu Ohkubo², Seiji Mitani², Kazuto Yamanoi¹, Yukio Nozaki¹ (1. Keio Univ. (Japan), 2. NIMS (Japan))

[A1-P304-15] Development of First-principles Determination of Magnetic Structures and Propagation Vectors Using Magnetic Interaction

*Katsuhiro Arimoto¹, Takashi Koretsune¹ (1. Department of Physics, Tohoku University (Japan))

[A1-P304-16] Asymmetric Magnetoelectric Effects in Fe₇₀Co₃₀/PMN-PT(011) Multiferroics

*Hikaru Sumida¹, Tomoyasu Taniyama¹, Keiichiro Imura^1,2, Sachio Komori¹, Yuichi Hisada¹, Tatsuki Kanno¹ (1. Nagoya Univ. (Japan), 2. Inst. of Liberal Arts and Sciences (Japan))

[A1-P304-17] Electric Field Effect of Magnetodynamic Properties in LSMO/PMN-PT(011)

*Yuki Ohashi¹, Sogo Suzuki¹, Sachio Komori¹, Tomoyasu Taniyama¹ (1. Nagoya Univ. (Japan))

[A1-P304-18] Prediction of Transport Properties of Functional Ceramics Materials based on Microscopy Images using Deep Learning

Takahiro Hosokawa¹, Tastunori Ishibashi¹, Yoshiki Nishiya¹, Hiroki Ogawa¹, Takuya Obara¹, *Akiyasu Yamamoto¹ (1. Tokyo University of Agriculture and Technology (Japan))

[A1-P304-19] Deep Learning-based Phase Segmentation of Electron Microscopy Images for Functional Polycrystalline Materials

*Yoshiki Nishiya¹, Takahiro Hosokawa¹, Yu Hirabayashi¹, Haruka Iga¹, Shinnosuke Tokuta¹, Yusuke Shimada², Akiyasu Yamamoto¹ (1. Tokyo Univ. of Agriculture and Tech. (Japan), 2. Tohoku Univ. (Japan))

[A1-P304-20] Crystal Defects in Polycrystalline Co-BaFe₂As₂ Bulk Superconductor

*Zimeng Guo¹, Hongye Gao¹, Koki Muraoka¹, Takaaki Harada¹, Yusuke Shimada^2,4, Shinnosuke Tokuta³, Yuta Hasegawa³, Akiyasu Yamamoto^3,4, Satoshi Hata^1,4 (1. Kyushu Univ. (Japan), 2. Tohoku Univ. (Japan), 3. Tokyo Univ. of Agriculture and Technology (Japan), 4. JST CREST (Japan))

[A1-P304-21] A More Accurate Method To Measure The Oxygen Content In Cuprate Superconductors

*Yuliang Wei¹, Shiro Kambe¹ (1. Yamagata Univ. (Japan))

[A1-P304-22] Tungsten nitride (W₅N₆): An ultrastrong 2D semimetal

*Hao Ting Chin^1,2,3, Ya Ping Hsieh¹, Mario Hofmann⁴ (1. Inst. of Atomic and Molecular Sciences, Academia Sinica (Taiwan), 2. Molecular Science and Technology Program, Taiwan International Graduate Program, Academia Sinica (Taiwan), 3. International Graduate Program of Molecular Science and Technology, National Taiwan Univ. (Taiwan), 4. Department of Physics, National Taiwan Univ. (Taiwan))

Cancelled

[A1-P304-23] Insights into Site-Variation in Proton Intercalation Mechanisms in β-H_xVOPO₄ for Aqueous Proton Batteries

*Sunghyun Park¹, Zihan Ma¹, Xiang-Mei Shi¹, Shin-ichi Nishimura¹, Tomohiro Aoto², Takuya Masuda², Masashi Okubo³, Atuso Yamada¹ (1. Univ. of Tokyo (Japan), 2. Nat. Inst. for Mater. Sci. (Japan), 3. Waseda Univ. (Japan))

[A1-P304-24] π-Ti₂O(PO₄)₂·2H₂O as Anode Materials for Aqueous Potassium-Ion Batteries

*Koyo Tokunaga¹, Shin-ichi Nishimura¹, Atsushi Kitada¹, Atsuo Yamada¹ (1. The University of Tokyo (Japan))

[A1-P304-25] Relationship between a Non-Rate-Determining Redox Process and the Oxygen Evolution Tafel Slope of MnO₂

*Koichi Yatsuzuka¹, Kiyohiro Adachi², Satoru Hamamoto³, Daisuke Hashizume², Ryuhei Nakamura^1,4, Hideshi Ooka¹ (1. RIKEN Center of Sustainable Resource Sci. (Japan), 2. RIKEN Center of Emergent Matter Sci. (Japan), 3. RIKEN SPring-8 Center (Japan), 4. Earth Life Science Inst., Tokyo Inst. of Tech. (Japan))

[A1-P304-26] A Mixed-Conductive Li₂S-Based Cathode Composite by a Liquid-Phase Process for All-Solid-State Lithium-Sulfur Battery

*Peilu Jiang¹, Kenta Watanabe^1,2, Kota Suzuki^1,2, Ryoji Kanno², Masaaki Hirayama^1,2 (1. Tokyo Inst. of Tech., School of Materials and Chemical Technology (Japan), 2. Tokyo Inst. of Tech., Res. Center for All-Solid-State Battery (Japan))

[A1-P304-27] Open Pore Structured Carbon Microsphere Anchoring TMOs Nanosheets with Oxygen Vacancies as an Efficient Bifunctional Electrocatalysts for Metal-Air Batteries

*Min Kim¹, Noeul Kim¹, Yun Chan Kang¹ (1. Korea Univ. (Korea))

[A1-P304-28] A combined approach with cluster expansion and Bayesian optimization:Structural changes in LiCoO₂ electrode

*Fumiaki Kuroda¹, Satoshi Hagiwara¹, Minoru Otani¹ (1. Univ. of Tsukuba (Japan))

[A1-P304-29] Synthesis of Porous Vanadium Oxide-Reduced Graphene Oxide Composite Microspheres Through Spray Pyrolysis and Their Aqueous Zinc-Ion Batteries Performances

*Jae Hun Choi¹, Ki Beom Kim¹, Yun Chan Kang¹ (1. Korea Univ. (Korea))

[A1-P304-30] Synthesis of SiO₂/TiO₂ Composite Porous Microsphere through Spray Pyrolysis and Their Electrochemical Properties as Li Metal Host Material

*Noeul Kim¹, Jae Hun Choi¹, Yun Chan Kang¹ (1. Korea Univ. (Korea))

[A1-P304-31] Search for Oxide-based Lithium Ion Conductors Being the Origin Using Recommender System

*Toshiya Nakayama¹, Kota Suzuki², Naoki Matsui², Kenta Watanabe¹, Atsuto Seko³, Isao Tanaka³, Ryoji Kanno², Masaaki Hirayama^1,2 (1. School of Materials and Chemical Technology, Tokyo Tech. (Japan), 2. Institute of Innovative Research, Tokyo Tech. (Japan), 3. Department of Materials Science and Engineering, Kyoto Univ. (Japan))

[A1-P304-32] Hierarchical Cube-in-Cube Cobalt- Molybdenum Phosphide Hollow Nanoboxes derived from MOF-template Strategy for High-Performance Supercapacitors

*Fatemeh Heidari Gourji¹ (1. Western Norway University of Applied Sciences (Norway))

[A1-P304-33] 13 Group Metal Oxo-clusters/Hydrides in Zeolites for Light Alkane Activation/Conversion

*Zen Maeno¹, Shunsaku Yasumura², Mengwen Huang², Tetsuya Kinjo¹, Takashi Toyao², Ken-ichi Shimizu² (1. Kogakuin Univ. (Japan), 2. Hokkaido Univ. (Japan))

[A1-P304-34] Wafer Scale Structural Manipulation of Ultrathin Nanocatalysts by Rotating Shadow Mask Technique

*JEYAVELAN MUTHU¹, Farheen Khurshid¹, Chin Hao Ting², Yu Chi Yao², Ding Rui Chen², Ya Ping Hsieh², Mario Hofmann¹ (1. National Taiwan University (Taiwan), 2. Institute of Atomic and Molecular Sciences (Taiwan))

[A1-P304-35] Highly Selective and Sensitive Acetone Detection by ε-WO₃ with Ferroelectric Properties

*Ki Beom Kim¹, Min Kim¹, Ji Wook Yoon², Yun Chan Kang¹ (1. Korea Univ. (Korea), 2. Jeonbuk National Univ. (Korea))

[A1-P304-36] In Situ Synthesis Of Silver Nanoparticle On Cellulose Nanofiber

*ANFU TAN¹, Hisanori Tanimoto¹ (1. Univ. of Tsukuba (Japan))

[A1-P304-37] Development of 2-inch diameter Mg2Si substrates toward a low-cost and environmentally friendly SWIR detector: a practical approach using simulations to avoid the crack formation

*Yusei Kimura¹, Xin Liu², Noritaka Usami², Shunya Sakane¹, Haruhiko Udono¹ (1. Ibaraki Univ. (Japan), 2. Nagoya Univ. (Japan))

[A1-P304-38] Topology Control of Dynamic Networks in Thermoplastic Elastomers

*Hiroshi Morita³, Ken Kojio², Ken Nakajima¹, Koya Shimokawa⁴, Motoko Kotani⁵ (1. Tokyo Inst. Tech. (Japan), 2. Kyushu Univ. (Japan), 3. Nat. Inst. Adv. Indus. Sci. Tech. (Japan), 4. Ochanomizu Univ. (Japan), 5. Tohoku Univ. (Japan))

[A1-P304-39] Parity Control of Interlayer Arrangements in High Performance Organic Semiconductor, pTol-BTBT-C_n.

*Satoru Inoue¹, Toshiki Higashino², Kiyoshi Nikaido¹, Ryo Miyata¹, Satoshi Matsuoka¹, Mutsuo Tanaka³, Seiji Tsuzuki¹, Sachio Horiuchi², Ryusuke Kondo⁴, Ryoko Sagayama⁵, Reiji Kumai⁵, Daiki Sekine⁶, Takayoshi Koyanagi⁶, Masakazu Matsubara⁶, Tatsuo Hasegawa¹ (1. The University of Tokyo (Japan), 2. AIST (Japan), 3. Saitama Institution of Technology (Japan), 4. Okayama University (Japan), 5. KEK IMSS (Japan), 6. Tohoku University (Japan))

[A1-P304-40] Mixing-Induced Higher Molecular Ordering in Alkylated Organic Semiconductors; Effect of Chain-End Interdigitation in pTol-BTBT-C_n

*Kiyoshi Nikaido¹, Satoru Inoue¹, Seiji Tsuzuki¹, Reiji Kumai², Kiyofumi Takaba³, Saori Maki-Yonekura³, Koji Yonekura^3,4, Tatsuo Hasegawa¹ (1. Univ. of Tokyo (Japan), 2. IMSS KEK (Japan), 3. RIKEN SPring-8 Center (Japan), 4. Tohoku Univ. (Japan))

[A1-P304-41] Stepwise Crystal Structure Optimization of Polyacenes; How is the Layered Herringbone Packing Stabilized?

*Ryota Ono¹, Kanata Koyama¹, Satoru Inoue¹, Shunto Arai¹, Seiji Tsuzuki¹, Tatsuo Hasegawa¹ (1. The Univ. of Tokyo (Japan))

Session information

[A1-P304] Poster 304

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