東京科学大学ロゴ
文部科学省 データ創出・活用型マテリアル研究開発プロジェクト 智慧とデータが拓くエレクトロニクス新材料開発拠点 MEXT Program: Data Creation and Utilization Type Material Research and Development Project D2MatE - Data Driven Materials Research Institute for Electronics
JP EN
D2MatEロゴ
ホーム研究成果

研究成果

2024年度
  1. Asymmetric Atomic Coordination of Platinum Skin Layer on Intermetallic Platinum–Cobalt Particles; S. Kobayashi, Y. Omori, K. Nakayama, K. Ooe, H.-H. Huang, and A. Kuwabara ACS Nano 19, 3, 3510-3518, (2025)
    https://doi.org/10.1021/acsnano.4c13291
  2. Large Seebeck coefficient driven by “pudding mold” flat band in hole-doped CuRhO2; Amitayush Jha Thakur, Maximilian Thees, Franck Fortuna, Emmanouil Frantzeskakis, Daisuke Shiga, Hiromichi Kuriyama, Minoru Nohara, Hidenori Takagi, Hiroshi Kumigashira, and Andrés F. Santander-Syro Phys. Rev. Mater. 9, (2025)
    https://doi.org/10.1103/PhysRevMaterials.9.L032401
  3. Dielectric property depends on the crystal structure of perovskite-type RbTaO3 synthesized at high pressure; K. Murase , J. Yamaura, Y. Hamasaki , T Kato, H. Sagayama,and A. Yamamoto Dalton Trans. 54, 2252-2256, (2025)
    https://doi.org/10.1039/D4DT03207A
  4. Topological Semimetal KAlGe with Novel Electronic Instability; T. Ikenobe, T. Yamada, J. Yamaura, T. Oguchi, R. Okuma, D. Hirai, H. Sagayama, Y. Okamoto, Z. Hiroi Chem. Mater. 37, 1, 189-197, (2025)
    https://doi.org/10.1021/acs.chemmater.4c02284
  5. Nonequilibrium layered PbS stabilized by Sn doping: bipolar semiconductors with low thermal conductivity; M. Hiramatsu, Z. Hu, S. Yoshikawa, Z. Yang, X. He, T. Katase, J. Yamaura, H. Sagayama,T. Tadano, S. Ueda, H. Hiramatsu, H. Hosono, T. Kamiya ACS Appl. Electron. Mater. 6, 11, 8339-8350, (2024)
    https://doi.org/10.1021/acsaelm.4c01572
  6. Nano-Patterned CuO Nanowire Nanogap Hydrogen Gas Sensor With Voids; M. Zhao, R. Nitta, S. Izawa, J. Yamaura, Y. Majima Adv. Funct. Mater. 35, 12, (2025)
    https://doi.org/10.1002/adfm.202415971
  7. Multiphase Coexistence in an Ionic Liquid: 1-Decyl-3-methylimidazolium Nitrate; Hiroshi Abe, Shusei Maruyama, Hiroaki Kishimura, Mikio Uruichi, Daisuke Okuyama, Hajime Sagayama J. Phys. Chem. Lett. 15, 42, 10668-10676, (2024)
    https://doi.org/10.1021/acs.jpclett.4c02716
  8. Common anion rule in oxide heterointerfaces: Experimental verification by in situ photoemission spectroscopy; Ryotaro Hayasaka, Tatsuhiko Kanda, Yuuki Masutake, Duy Khanh Nguyen, Naoto Hasegawa, Seitaro Inoue, Asato Wada, Miho Kitamura, Daisuke Shiga, Kohei Yoshimatsu, Hiroshi Kumigashira APL Mater. 12, 7, (2024)
    https://doi.org/10.1063/5.0223269
  9. Phonon drag thermopower persisting over 200 K in FeSb2 thin film on SrTiO3 single crystal; C. Yamamoto, X. He, K. Hanzawa, T. Katase, M. Sasase, J. Yamaura, H. Hiramatsu, H. Hosono and T. Kamiya Appl. Phys. Lett. 124, 19, (2024)
    https://doi.org/10.1063/5.0204885
  10. Low-temperature and high-pressure phase transitions of ionic liquid 1-decyl-3-methylimidazolium bromide; Hiroshi Abe, Shusei Maruyama, Yuto Yoshiichi, Hiroaki Kishimura, Daisuke Okuyama, Hajime Sagayama J. Mol. Liq. 401, (2024)
    https://doi.org/10.1016/j.molliq.2024.124583
  11. Nonmagnetic Ground State in RuO2 Revealed by Muon Spin Rotation; M. Hiraishi, H. Okabe, A. Koda, R. Kadono, T. Muroi, D. Hirai, Z. Hiroi Phys. Rev. Lett. 132, 16, (2024)
    https://doi.org/10.1103/PhysRevLett.132.166702
  12. Crystal structure and properties of perovskite-type rubidium niobate, a high-pressure phase of RbNbO3; Crystal structure and properties of perovskite-type rubidium niobate, a high-pressure phase of RbNbO3; A. Yamamoto, K. Murase, T. Sato, K. Sugiyama, T. Kawamata, Y. Inaguma, J. Yamaura, K. Shitara, R. Yokoi and H. Moriwake Dalton Trans. 53, 7044-7052 (2024)
    https://doi.org/10.1039/D4DT00190G
  13. Distinguishing Ion Dynamics from Muon Diffusion in Muon Spin Relaxation; T.U. Ito and R. Kadono J. Phys. Soc. Jpn. 93, 4, (2024)
    https://doi.org/10.7566/JPSJ.93.044602
  14. Unraveling the Origin of Unusual Cs Atom Disorder in Cesium Octahedral Molybdenum Halide Cluster Compounds, Cs2[{Mo6Xi 8}Xa6] (X = Cl and Br); Saito, Norio; Cordier, Stephane; Ohsawa, Takeo; Saito, Noriko; Takei, Takahiro; Grasset, Fabien; Cross, Jeffrey Scott; Ohashi, Naoki Inorganic Chemistry 64, 4, 1909-1918, (2025)
    https://doi.org/10.1021/acs.inorgchem.4c04648
  15. Probing buried interface band dispersion of a MgO/Fe heterostructure with hard X-ray angle-resolved photoemission; Ueda, Shigenori; Mizuguchi, Masaki Appl. Phys. Express 17, 7, (2024)
    https://iopscience.iop.org/article/10.35848/1882-0786/ad5e33
  16. Phase Identification of 850 nm Thick 7%YO1.5-93%HfO2 Films by Surface and Cross-Sectional Raman Spectroscopies; Mimura, Takanori; Takahashi, Yuma; Shiraishi, Takahisa; Kodera, Masanori; Shimura, Reijiro; Ishihama, Keisuke; Okamoto, Kazuki; Moriwake, Hiroki; Taguchi, Ayako; Shimizu, Takao; Fujii, Yasuhiro; Koreeda, Akitoshi; Funakubo, Hiroshi ACS Appl. Electron. Mater. 6, 4, 2500-2506, (2024)
    https://doi.org/10.1021/acsaelm.4c00134
  17. A data-driven generative strategy to avoid reward hacking in multi-objective molecular design; T. Yoshizawa, S. Ishida, T. Sato, M. Ohta, T. Honma, K. Terayama Nature Communications 16, 1, (2025)
    https://doi.org/10.1038/s41467-025-57582-3
  18. Realization of Non-Equilibrium Wurtzite Structure in Heterovalent Ternary MgSiN2 Film Grown by Reactive Sputtering; Sotaro Kageyama, Kazuki Okamoto, Shinnosuke Yasuoka, Keisuke Ide, Kota Hanzawa, Yoshiomi Hiranaga, Pochun Hsieh, Sankalpa Harza, Albert Suceava, Akash Saha, Hiroko Yokota, Kei Shigematsu, Masaki Azuma, Venkatraman Gopalan, Hiroshi Uchida, Hidenori Hiramatsu, and Hiroshi Funakubo Adv. Electron. Mater. 11, 9, (2025)
    https://doi.org/10.1002/aelm.202400880
  19. Molecularly-anchored single PbS quantum dots as resonant tunnelling transistors; Retno Dwi Wulandari, Dongbao Yin, Ricky Dwi Septianto, Seiichiro Izawa, Yoshihiro Iwasa, Satria Zulkarnaen Bisri, and Yutaka Majima Nanoscale 17, 10, 5672-5680, (2025)
    https://doi.org/10.1039/D4NR04703F
  20. Determination of Stable Proton Configurations by Black-Box Optimization Using an Ising Machine; Jianbo Lin, Tomofumi Tada, Ai Koizumi, Masato Sumita, Koji Tsuda, and Ryo Tamura J. Phys. Chem. C 129, 5, 2332-2340, (2025)
    https://doi.org/10.1021/acs.jpcc.4c07104
  21. QCforever2: Advanced Automation of Quantum Chemistry Computations; M. Sumita, K. Terayama, S. Ishida, K. Suga, S. Saito, K. Tsuda J. Comput. Chem. 46, 3, (2025)
    https://doi.org/10.1002/jcc.70017
  22. Invariant discovery of features across multiple length scales: Applications in microscopy and autonomous materials characterization; Aditya Raghavan, Utkarsh Pratiush, Mani Valleti, Richard (Yu) Liu, Reece Emery, Hiroshi Funakubo, Yongtao Liu, Philip Rack, and Sergei Kalinin J. Appl. Phys. 137, 3, (2025)
    https://doi.org/10.1063/5.0233070
  23. Dynamic Domain Motion Enhancing Electro-optic Performance in Ferroelectric Films; S. Kondo, K. Okamoto, O. Sakata, T. Teranishi, A. Kishimoto, T. Nagasaki, and T. Yamada Appl. Phys. Lett. 126, 1, (2025)
    https://doi.org/10.1063/5.0244707
  24. Thermoelectric performance enhancement of environmentally-friendly SrTiO3 epitaxial films by hydrogen substitution; Masatoshi Kimura, Masahiro Ochiai, Xinyi He, Takayoshi Katase, Hidenori Hiramatsu, Hideo Hosono, Toshio Kamiya EcoEnergy 3, 2, 459-469, (2025)
    https://doi.org/10.1002/ece2.89
  25. Enhancement of n-type electronic conductivity in bismuth iron borate glasses by fluorine addition; K. Mitsui, R. Matsumoto, M. Mori, Z. Hu, T. Katase, H. Hiramatsu, and A. Saitoh J. Appl. Phys. 136, 23, (2024)
    https://doi.org/10.1063/5.0232888
  26. Scientific exploration with expert knowledge (SEEK) in autonomous scanning probe microscopy with active learning; Utkarsh Pratiush, Hiroshi Funakubo, Rama Vasudevan, Sergei V. Kalinin, and Yongtao Liu Digital Discovery 4, 1, 252-263, (2025)
    https://doi.org/10.1039/D4DD00277F
  27. Fluoride superionic conduction in TlF with the new anti-a-CuBr structure containing intrinsic F vacancies; Kazuki Tani, Tomofumi Tada and Tsuyoshi Takami J. Mater. Chem. A 13, 2, 1478-1484, (2025)
    https://doi.org/10.1039/D4TA06334A
  28. Excellent piezoelectric and ferroelectric properties of ScxGa1−xN alloy with high Sc concentration; Masato Uehara, Kenji Hirata, Yoshiko Nakamura, Sri Ayu Anggraini, Kazuki Okamoto, Hiroshi Yamada, Hiroshi Funakubo, and Morito Akiyama APL Mater. 12, 12, (2024)
    https://doi.org/10.1063/5.0236507
  29. Data-driven study of the enthalpy of mixing in the liquid phase; G. Deffrennes, B. Hallstedt, T. Abe, Q. Bizot, E. Fischer, J.-M. Joubert, K. Terayama, R. Tamura Calphad 87, (2024)
    https://doi.org/10.1016/j.calphad.2024.102745
  30. Performance of uncertainty-based active learning for efficient approximation of black-box functions in materials science; A. Koizumi, G. Deffrennes, K. Terayama, R. Tamura Scientific Reports 14, 1, (2024)
    https://doi.org/10.1038/s41598-024-76800-4
  31. Gate-Controlled Potassium Intercalation and Superconductivity in Molybdenum Disulfide; Ricky Dwi Septianto, Alec Paul Romagosa, Yu Dong, Hideki Matsuoka, Toshiya Ideue, Yutaka Majima, and Yoshihiro Iwasa Nano Letters 24, 43, 13790-13795, (2024)
    https://doi.org/10.1021/acs.nanolett.4c04134
  32. Probing of polarization reversal in ferroelectric (Al,Sc)N films using single- and tri-layered structures with different Sc/(Al+Sc) ratio; Shinnosuke Yasuoka, Takao Shimizu, Kazuki Okamoto, Nana Sun, Soshun Doko, Naoko Matsu, Toshikazu Irisaw, Koji Tsunekawa, Alexei Gruverman, and Hiroshi Funakubo Adv. Mater. Interfaces 12, 5, (2025)
    https://doi.org/10.1002/admi.202400627
  33. Constructing Morphotropic Phase Boundary in Epitaxial BiFeO3 on SrTiO3 by Suppression of Strain Relaxation; Yue-Yu-Shan Cheng, Yuxian Hu, Taichi Murashita, Yu Song, Hongliang Wang, Kazuki Okamoto, Lisha Liu, Xin Zhang, Houbing Huang, Jing-Feng Li, and Hiroshi Funakubo Adv. Funct. Mater. 35, 1, (2025)
    https://doi.org/10.1002/adfm.202409240
  34. Simultaneous Realization of Single-Crystal-Like Electron Transport and Strong Phonon Scattering in Polycrystalline SrTiO3-xHx; T. Katase, S. Nomoto, X. He, S. Kitani, T. Honda, H. Hiramatsu, H. Hosono, and T. Kamiya ACS Appl. Electron. Mater. 6, 10, 7424-7429, (2024)
    https://doi.org/10.1021/acsaelm.4c01306
  35. Ta5+-substitution effects on crystal structure and ferroelectric property in HfO2-based films; Yoshiki Maekawa, Takanori Mimura, Yoshiyuki Inaguma, Hiroshi Uchida, Yuxian Hu1, Kazuki Okamoto, and Hiroshi Funakubo Jpn. J. Appl. Phys. 63, 9, (2024)
    https://iopscience.iop.org/article/10.35848/1347-4065/ad6fa9
  36. Fluoride-Ion Conduction by Synergic Rotation of the Anion Sublattice for Tl4.5SnF8.5 Analogues; Tsuyoshi Takami, Nozomu Yasufuku, Mariia Ivonina, Tomofumi Tada, Kazuki Tani, Chanachai Pattanathummasid, and Kazuhiro Mori Chem. Mater. 36, 17, 8488-8495, (2024)
    https://doi.org/10.1021/acs.chemmater.4c01626
  37. Bayesian Co-navigation: Dynamic Designing of the Materials Digital Twins via Active Learning; Boris N. Slautin, Yongtao Liu, Hiroshi Funakubo, Rama K. Vasudevan, Maxim Ziatdinov,and Sergei V. Kalinin ACS Nano 2024 18, 36, 24898-24908, (2024)
    https://doi.org/10.1021/acsnano.4c05368
  38. Insertion of methylene groups into functional molecules for high thermal stability and superior functionality of single-molecule transistors: a first-principles study; Miku Furushima, Mitsuharu Uemoto, Dongbao Yin, Seiichiro Izawa, Ryo Shintani, Yutaka Majima, and Tomoya Ono New Journal of Chemistry 48, 36, 16008-16014, (2024)
    https://doi.org/10.1039/D4NJ02610A
  39. Symmetry Change in LaNiO3 Films Caused by Epitaxial Strain from LaAlO3, SrTiO3, and DyScO3 Pseudocubic (001) Surfaces; Fumiya Izumisawa, Yuta Ishii, Masatoshi Kimura, Takayoshi Katase, Toshio Kamiya, Jun-ichi Yamaura, Yusuke Kobayashi Jpn. J. Appl. Phys. 136, 7, (2024)
    https://doi.org/10.1063/5.0221417
  40. Effect of Li Concentration on Second Harmonic Generation from Widegap ZnMgO Thin Films; L. Meng, X. Yuan, J. Gao, W. Liu, X. Yang, T. Zhai, and T. Yamada Jpn. J. Appl. Phys. 63, 8, (2024)
    https://iopscience.iop.org/article/10.35848/1347-4065/ad66da
  41. Target Material Property-Dependent Cluster Analysis of Inorganic Compounds; Nobuya Sato, Akira Takahashi, Shin Kiyohara, Kei Terayama, Ryo Tamura, and Fumiyasu Oba Advanced Intelligent Systems 6, 12, (2024)
    https://doi.org/10.1002/aisy.202400253
  42. AIPHAD, an active learning web application for visual understanding of phase diagrams; R. Tamura, H. Morito, G. Deffrennes, M. Naito, Y. Nose, T. Abe, K. Terayama Communications Materials 5, 1, (2024)
    https://doi.org/10.1038/s43246-024-00580-7
  43. Quadrupling the depairing current density in the iron-based superconductor SmFeAsO1–xHx; M. Miura, S. Eley, K. Iida, K. Hanzawa, J. Matsumoto, H. Hiramatsu, Y. Ogimoto, T. Suzuki, T. Kobayashi, T. Ozaki, H. Kurokawa, N. Sekiya, R. Yoshida, T. Kato, T. Okada, H. Okazaki, T. Yamaki, J. Hänisch, S. Awaji, A. Maeda, B. Maiorov, and H. Hosono Nat. Mater. 23, 10, 1370-1378 (2024)
    https://doi.org/10.1038/s41563-024-01952-7
  44. High stability of the ferroelectricity against hydrogen gas in (Al,Sc)N thin films; Nana Sun, Kazuki Okamoto, Shinnosuke Yasuoka, Soshun Doko, Naoko Matsui, Toshikazu Irisawa, Koji Tsunekawa, Takayoshi Katase, Tomoyuki Koganezawa, Tomotaka Nakatani, Rosantha Kumara, Osami Sakata, and Hiroshi Funakubo Appl. Phys. Lett. 125, 3, (2024)
    https://doi.org/10.1063/5.0202063
  45. Strain Control of (001)-Polar-Axis-Oriented Epitaxial Y‑Doped HfO2 Thin Films; Yoshiki Maekawa, Koji Hirai, Kazuki Okamoto, Takao Shimizu, and Hiroshi Funakubo ACS Appl. Electron. Mater. 6, 8, 5525-5535, (2024)
    https://doi.org/10.1021/acsaelm.4c00368
  46. Carrier generation and compensation mechanism in La2SnO2S3; T. Nagafuji, K. Osuna, K. Hanzawa, T. Gake, S. Bae, Z. Hu, T. Katase, A. Takahashi, H. Hiramatsu, and F. Oba J. Mater. Chem. C 12, 12015-12025, (2024)
    https://doi.org/10.1039/D4TC01116C
  47. Post heat treatment effect on crystal structure and ferroelectricity of (1-x)(Bi,K)TiO3-xCaTiO3 solid solution epitaxial films grown by hydrothermal method; Taichi Murashita, Yuxian Hu, Yuma Takahashi, Reika Ota, Kazuki Okamoto, and Hiroshi Funakubo J. Ceram, Soc. Jpn. 132, 7, 324-329, (2024)
    https://doi.org/10.2109/jcersj2.23210
  48. Resonant tunneling in a colloidal CdS semiconductor quantum-dot single-electron transistor based on heteroepitaxial-spherical Au/Pt nanogap electrodes; Genki Ohkatsu, Takumi Nishinobo, Masaki Saruyama, Toshiharu Teranishi, and Yutaka Majima Nanoscale Advances 6, 17, 4346-4351, (2024)
    https://doi.org/10.1039/d4na00288a
  49. Ferroelectric Freestanding Hafnia Membranes with Metastable Rhombohedral Structure Down to 1-nm-thick; Y. Shen, K. Ooe, X. Yuan, T. Yamada, S. Kobayashi, M. Haruta, D. Kan, and Y. Shimakawa Nat. Commun. 15, 1, (2024)
    https://doi.org/10.1038/s41467-024-49055-w
  50. Electron Transfer Enhanced by a Minimal Energetic Driving Force at the Organic‐Semiconductor Interface; Hiroto Iwasaki, Keisuke Fujimoto, Koki Banno, Qing‐jun Shui, Yutaka Majima, Masaki Takahashi, and Seiichiro Izawa Angew. Chem. Int. Ed. 63, 37, (2024)
    https://doi.org/10.1002/anie.202407368
  51. Negative Differential Resistancein Single-Molecule Junctions Based on Heteroepitaxial Spherical Au/Pt Nanogap Electrodes; DongbaoYin, Miku Furushima, Eiji Tsuchihata, Seiichiro Izawa, Tomoya Ono, Ryo Shintani, and Yutaka Majima Adv. Electron. Mater. 11, 3, (2025)
    https://doi.org/10.1002/aelm.202400390
  52. Wide-Gap p-Type Layered Oxychalcogenides AE2CuInO3Ch (AE: Alkaline Earth, Ch: Chalcogen): Unusually Low Residual Carrier Concentration and Green-to-Red Emission; Xinyi He, Tatsuya Cho, Takayoshi Katase, Kota Hanzawa, Suguru Kitani, Hidenori Hiramatsu, Hideo Hosono, Toshio Kamiya Chem. Mater. 36, 12, 6086-6099, (2024)
    https://doi.org/10.1021/acs.chemmater.4c00724
  53. Fast and Slow Reduction Behaviors of CeO2 Nanoparticles by H2-TPR Kinetics and Electronic Current Increase; Masakuni Ozawa, Takashi Hattrori, Masatomo Hattori, and Yutaka Majima J. Soc. Mater. Sci. 73, 6, 497-5013, (2024)
    https://doi.org/10.2472/jsms.73.497
  54. High Volumetric Energy Density Supercapacitor of Additive-Free Quantum Dot Hierarchical Nanopore Structure; Muhammad Alief Irham, Ricky Dwi Septianto, Retno Dwi Wulandari, Yutaka Majima, Ferry Iskandar, Yoshihiro Iwasa, and Satria Zulkarnaen Bisri ACS Appl. Mater. Interfaces 16, 19, 24889-24898, (2024)
    https://doi.org/10.1021/acsami.4c02517
  55. The ferroelectric and piezoelectric properties of (Hf1-xCex)O2 films on indium tin oxide/Pt/TiOx/SiO2/(100)Si substrates obtained using a no-heating radio-frequency magnetron sputtering deposition method; Nachi Chaya, Kazuki Okamoto, Koji Hirai, Shinnosuke Yasuoka, Yukari Inoue, Wakiko Yamaoka, and Hiroshi Funakubo Jpn. J. Appl. Phys. 63, 4, (2024)
    https://iopscience.iop.org/article/10.35848/1347-4065/ad3a71
  56. Hydrogen-included Plasma-assisted Reactive Sputtering for Conductivity Control of Ultra-Wide Bandgap Amorphous Gallium Oxide; Kosuke Takenaka, Hibiki Komatsu, Taichi Sagano, Keisuke Ide, Susumu Toko, Takayoshi Katase, Toshio Kamiya, and Yuichi Setsuhara J. Appl. Phys. 63, 4, (2024)
    https://iopscience.iop.org/article/10.35848/1347-4065/ad364e
  57. Unraveling the Impact of Initial Choices and In-Loop Interventions on Learning Dynamics in Autonomous Scanning Probe Microscopy; Boris N. Slautin, Yongtao Liu, Hiroshi Funakubo, and Sergei V. Kalinin J. Appl. Phys. 135, 15, (2024)
    https://doi.org/10.1063/5.0198316
  58. Data-Driven Analysis of High-Resolution Hyperspectral Image Data sets through Nanoscale Capacitance-Voltage Measurements to Visualize Ferroelectric Domain Dynamics; Yoshiomi Hiranaga, Yuki Noguchi, Takanori Mimura, Takao Shimizu, Hiroshi Funakubo, and Yasuo Cho ACS Appl. Nano Mater. 7, 8, 8525-8536, (2024)
    https://doi.org/10.1021/acsanm.3c04636
  59. 7.4 nm linewidth Pt nanowires by electron-beam lithography using non-chemically amplified positive-tone resist and post-exposure bake; Ryo Toyama and Yutaka Majima J. Appl. Phys. 63, 4, (2024)
    https://iopscience.iop.org/article/10.35848/1347-4065/ad369e


2023年度
  1. Distinguishing Ion Dynamics from Muon Diffusion in Muon Spin Relaxation; T. U. Ito and R. Kadono J. Phys. Soc. Jpn. 93, 044602, (2024)
    https://doi.org/10.7566/JPSJ.93.044602
  2. A Three‐Dimensionally Extended Metal-Organic Ladder Compound Exhibiting Proton Conduction; Hao Liang, Kazuya Otsubo, Yusuke Wakabayashi, Hajime Sagayama, Shogo Kawaguchi, Hiroshi Kitagawa Angewandte Chemie 63, 14, (2024)
    https://doi.org/10.1002/anie.202400162
  3. Development of transient µSR method for high-flux pulsed muons; S. Nishimura, H. Okabe, M. Hiraishi, M. Miyazaki, J. G. Nakamura, A. Koda, and R. Kadono Nucl. Instrum. Methods Phys. Res. 1056, (2023)
    https://doi.org/10.1016/j.nima.2023.168669
  4. Photo-excited charge carrier lifetime enhanced by slow cation molecular dynamics in lead iodide perovskite FAPbI3; M. Hiraishi, A. Koda, H. Okabe, R. Kadono, K. A. Dagnall, J. J. Choi, and S.-H. Lee J. Appl. Phys. 134, 5, (2023)
    https://doi.org/10.1063/5.0159708
  5. Quantitative measurement of structural fluctuation at LaNiO3/LaAlO3 interfaces as a function of thickness; Kazuki Nagai, Masato Anada, Kazuhiro Kowa, Miho Kitamura, Hiroshi Kumigashira, Hiroo Tajiri, and Yusuke Wakabayashi Phys. Rev. Mater. 7, 4, (2023)
    https://doi.org/10.1103/PhysRevMaterials.7.043604
  6. Quantization condition of strongly correlated electrons in oxide nanostructures; Tatsuhiko Kanda, Daisuke Shiga, Asato Wada, Ryotaro Hayasaka,Yuuki Masutake, Naoto Hasegawa, Miho Kitamura, Kohei Yoshimatsu,and Hiroshi Kumigashira Commun. Mater. 4, 1, (2023)
    https://www.nature.com/articles/s43246-023-00354-7
  7. Approach to low contact resistance formation on buried interface in oxide TFTs: Utilization of palladium-mediated hydrogen pathway; Y. Shi, M. Tsuji, H. Cho, S. Ueda, J. Kim, H. Hosono ACS nano 18, 13, 9736-9745, (2024)
    https://doi.org/10.1021/acsnano.4c02101
  8. Nanoscale dynamics of hydrogen in VO2 studied by μSR; Okabe, H.; Hiraishi, M.; Koda, A.; Matsushita, Y.; Ohsawa, T.; Ohashi, N.; Kadono, R Phys. Rev. Mater. 8, 2, (2024)
    https://doi.org/10.1103/PhysRevMaterials.8.024602
  9. Near-interface electronic and magnetic states of insulator/Co2MnSi heterostructures probed by hard x-ray photoemission combined with x-ray total reflection; S. Ueda, Y. Fujita, Y. Sakuraba Phys. Rev. B 109, 8, (2024)
    https://doi.org/10.1103/PhysRevB.109.085109
  10. Full polarization reversal at room temperature in unsubstituted AlN; Kota Hasegawa, Takao Shimizu, Takeo Ohsawa, Isao Sakaguchi, Naoki Ohashi Applied Physics Letters 123, 19, (2023)
    https://doi.org/10.1063/5.0174236
  11. Ammonia Cracking Catalyzed by Ni Nanoparticles Confined in the Framework of CeO2 Support; H. Mizoguchi, Y Osawa, M. Sasase, N. Ohashi, M. Kitano, H. Hosono J. Phys. Chem. Lett. 14, 42, 9516-9520, (2023)
    https://doi.org/10.1021/acs.jpclett.3c02446
  12. In-plane lattice orientation in aluminum scandium nitride epitaxial films deposited on Nb doped SrTiO3(111) substrates via reactive magnetron sputtering; Kota Hasegawa, Takao Shimizu, and Naoki Ohashi Journal of the Ceramic Society of Japan 131, 7, 242-247, (2023)
    https://doi.org/10.2109/jcersj2.23002
  13. Band alignment of oxides by learnable structural-descriptor-aided neural network and transfer learning; Shin Kiyohara, Yoyo Hinuma, and Fumiyasu Oba Journal of the American Chemical Society 146, 14, 9697-9708, (2024)
    https://doi.org/10.1021/jacs.3c13574
  14. Novel Route for Enhancing Piezoelectricity of Ferroelectric Films: Controlling Nontrivial Polarization States in Pb(Zr, Ti)O3 Monodomain Superlattice Structure; J. Song, Y. Ebihara, P. Yudin, O. Sakata, H. Morioka, T. Kiguchi, S. Kondo, X. Yuan, S. Okamura, M. Yoshino, T. Nagasaki, and T. Yamada ACS Appl. Mater. Interfaces 16, 13, 16145-16151, (2024)
    https://doi.org/10.1021/acsami.3c18721
  15. Achieving High Piezoelectric Performance in Tetragonal (Bi,Na)TiO3-BaTiO3 Films Across a Wide Composition Range for MEMS Applications; Keisuke Ishihama, Kazuki Okamoto, Akinori Tateyama, Takao Shimizu, Wakiko Yamaoka, Risako Tsurumaru, Shintaro Yoshimura, Yusuke Sato, and Hiroshi Funakubo ACS Appl. Mater. Interfaces 16, 1, 1308-1316, (2024)
    https://doi.org/10.1021/acsami.3c13302
  16. Inverse-Perovskite Ba3BO (B = Si and Ge) as a High Performance Environmentally Benign Thermoelectric Material with Low Lattice Thermal Conductivity; X. He, S. Kimura, T. Katase, T. Tadano, S. Matsuishi, M. Minohara, H. Hiramatsu, H. Kumigashira, H. Hosono, and T. Kamiya Adv. Sci. 11, 10, (2024)
    https://doi.org/10.1002/advs.202307058
  17. Scalable ferroelectricity of 20-nm-thick (Al0.8Sc0.2)N thin films sandwiched between TiN electrodes; Reika Ota, Shinnosuke Yasuoka, Ryoichi Mizutani, Takahisa Shiraishi, Kazuki Okamoto, Kuniyuki Kakushima, Tomoyuki Koganezawa, Osami Sakata, Hiroshi Funakubo J. Appl. Phys. 134, 21, (2023)
    https://doi.org/10.1063/5.0166288
  18. Enhancing analysis efficiency: Automation of spectroscopic ellipsometry for crystalline semiconductors and transparent conductive oxides; S. Maeda, Y. Tani, H. Katayama, D. Kanematsu, K. Oiwake, Y. Nishigaki, T. Miyadera, M. Chikamatsu, T. Nagai, T. Aizawa, K. Hanzawa, H. Hiramatsu, A. Terakawa, H. Hosono, and H. Fujiwara Thin Solid Films 787, (2023)
    https://doi.org/10.1016/j.tsf.2023.140099
  19. Invariant polarization switching kinetics in an (Al0.2Sc0.8)N film with frequency and temperature; Shinnosuke Yasuoka, Ryoichi Mizutani, Reika Ota, Takahisa Shiraishi, Takao Shimizu, Kazuki Okamoto Masato Uehara, Hiroshi Yamada, Morito Akiyama, and Hiroshi Funakubo Appl. Phys. Lett., 123, 20, (2023)
    https://doi.org/10.1063/5.0171108
  20. Extraordinarily Large Contribution Ratio of Ferroelastic Domain Switching to Piezoresponse in Monoclinic (K, Na)NbO3 Films; X. Yuan, K. Okamoto, M. Kawano, M. Yoshino, T. Nagasaki, Y. Imai, O. Sakata, and T. Yamada Adv. Electron. Mater. 10,1,2300405, (2024)
    https://doi.org/10.1002/aelm.202300405
  21. Fully autonomous materials screening methodology combining first-principles calculations, machine learning and high-performance computing system; Akira Takahashi, Kei Terayama, Yu Kumagai, Ryo Tamura, and Fumiyasu Oba Science and Technology of Advanced Materials: Methods 3, 1, (2023)
    https://doi.org/10.1080/27660400.2023.2261834
  22. Koopmans' Theorem-Compliant Long-Range Corrected (KTLC) Density Functional Mediated by Black-Box Optimization and Data-Driven Prediction for Organic Molecules; K. Terayama, Y. Osaki, T. Fujita, R. Tamura, M. Naito, K. Tsuda, T. Matsui, M. Sumita Journal of Chemical Theory and Computation 19, 19, 6770-6781, (2023)
    https://doi.org/10.1021/acs.jctc.3c00764
  23. Ranking Pareto optimal solutions based on projection free energy; R. Tamura, K. Terayama, M. Sumita, K. Tsuda Physical Review Materials 7, 9, (2023)
    https://doi.org/10.1103/PhysRevMaterials.7.093804
  24. Roadmap on Ferroelectric Hafnia and Zirconia-based materials and devices; José P. B. Silva, Ruben Alcala, Uygar E. Avci, Nick Barrett, Laura Bégon-Lours, Mattias Borg, Seungyong Byun, Sou-Chi Chang, Sang-Wook Cheong, Duk-Hyun Choe, Jean Coignus, Veeresh Deshpande, Athanasios Dimoulas, Catherine Dubourdieu, Ignasi Fina, Hiroshi Funakubo,et al. APL Mater. 11, 8, (2023)
    https://doi.org/10.1063/5.0148068
  25. In-situ X-ray diffraction analysis of intrinsic and extrinsic piezoelectric response in (100)/(001)-oriented tetragonal multidomain Pb(Zr,Ti)O3 films epitaxially grown on Si substrates; Miki Nakahata, Kazuki Okamoto, Keisuke Ishihama, Tomoaki Yamada, and Hiroshi Funakubo Japanese Journal of Applied Physics 62 , (2023)
    https://iopscience.iop.org/article/10.35848/1347-4065/ace330
  26. Effect of iron substitution on electronic conductivity of bismuth sesquioxide glasses; K. Mitsui, Z. Hu, K. Hanzawa, T. Katase, H. Hiramatsu, and A. Saitoh J. Appl. Phys. 134 7, (2023)
    https://doi.org/10.1063/5.0149523
  27. Bottom Contact 100 nm Channel-Length α-In2Se3 In-Plane Ferroelectric Memory; Shurong Miao, Ryosuke Nitta, Seiichiro Izawa, and Yutaka Majima Advanced Science 10 29, (2023)
    https://doi.org/10.1002/advs.202303032
  28. Design of antimicrobial peptides containing non-proteinogenic amino acids using multi-objective Bayesian optimization; Y. Murakami, S. Ishida, Y. Demizu, K. Terayama Digital Discovery 2 5, 1347-1353, (2023)
    https://doi.org/10.1039/D3DD00090G
  29. ChemTSv2: Functional molecular design using de novo molecule generator; S. Ishida, T. Aasawat, M. Sumita, M, Katouda, T. Yoshizawa, K. Yoshizoe, K. Tsuda, K. Terayama WIREs Computional Molecular Science 13 6, (2023)
    https://doi.org/10.1002/wcms.1680
  30. A framework to predict binary liquidus by combining machine learning and CALPHAD assessments; G. Deffrennes, K. Terayama, T. Abe, E. Ogamino, R. TamuraMaterials & Design 232 112111, (2023)
    https://doi.org/10.1016/j.matdes.2023.112111
  31. Quasielastic neutron scattering probing H- dynamics in the H- conductors LaH3-2xOx; Hiromu Tamatsukuri, Keiga Fukui, Soshi Iimura, Takashi Honda, Tomofumi Tada, Youichi Murakami, Jun-ichi Yamaura, Yoshio Kuramoto, Hajime Sagayama, Takeshi Yamada, Masato Matsuura, Kaoru Shibata, Maiko Kofu, Yukinobu Kawakita, Kazutaka Ikeda, Toshiya Otomo, Hideo HosonoPhysical Review B 107 184114, (2023)
    /https://pubs.acs.org/doi/full/10.1021/acsaelm.3c00249
  32. Heteroepitaxial Growth, Degenerate State, and Superconductivity of Perovskite-Type LaWN3 Thin Films; K. Hanzawa and H. Hiramatsu,ACS Appl. Electon. Mater. 5 2793-2798, (2023)
    https://journals.aps.org/prb/abstract/10.1103/PhysRevB.107.184114
  33. Hydride Anion Substitution Boosts Thermoelectric Performance of Polycrystalline SrTiO3 via Simultaneous Realization of Reduced Thermal Conductivity and High Electronic Conductivity; X. He, S. Nomoto, T. Komatsu, T. Katase, T. Tadano, S. Kitani, H. Yoshida, T. Yamamoto, H. Mizoguchi, K. Ide, H. Hiramatsu, H. Kawaji, H. Hosono, and T. Kamiya,Adv. Funct. Mater. 33 (2023)
    https://advanced.onlinelibrary.wiley.com/doi/10.1002/adfm.202213144


2022年度
  1. Domain structures in dielectric polarization vortex of BaTiO3 nanoclusters:A shell model molecular dynamics study; Tamotsu Hashimoto, Hiroki Moriwake,Physica B: Condensed Matter 656 1 (2023)
    https://www.sciencedirect.com/science/article/pii/S0921452623001357?via%3Dihub
  2. Reversible Thermal Conductivity Modulation of Non-equilibrium (Sn1–xPbx)S by 2D–3D Structural Phase Transition above Room Temperature; Zhongxu Hu, Mari Hiramatsu, Xinyi He, Takayoshi Katase, Terumasa Tadano, Keisuke Ide, Hidenori Hiramatsu, Hideo Hosono, and Toshio Kamiya,ACS Applied Energy Materials 6 (2023) 3504-3513
    https://pubs.acs.org/doi/10.1021/acsaem.3c00060
  3. Learning the right channel in multimodal imaging: automated experiment in Piezoresponse Force Microscopy; Yongtao Liu, Rama K. Vasudevan, Kyle P. Kelley, Hiroshi Funakubo, Maxim Ziatdinov,a and Sergei V. Kalinin,npj Computational Materials 9 34 (2023)
    https://www.nature.com/articles/s41524-023-00985-x
  4. On the switching dynamics of epitaxial ferroelectric CeO2 – HfO2 thin film capacitors; Felix Cüppers, Koji Hirai, and Hiroshi Funakubo,Nano Convergence 9 56 (2022)
    https://nanoconvergencejournal.springeropen.com/articles/10.1186/s40580-022-00344-4


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