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 ProjectD2MatE - Data Driven Materials Research Institute for Electronics
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 Nano19, 3, 3510-3518, (2025) https://doi.org/10.1021/acsnano.4c13291
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
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
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
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
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
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
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
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
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
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
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
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 Chemistry64, 4, 1909-1918, (2025) https://doi.org/10.1021/acs.inorgchem.4c04648
Probing buried interface band dispersion of a MgO/Fe heterostructure with hard X-ray angle-resolved photoemission; Ueda, Shigenori; Mizuguchi, Masaki Appl. Phys. Express17, 7, (2024) https://iopscience.iop.org/article/10.35848/1882-0786/ad5e33
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 Communications16, 1, (2025) https://doi.org/10.1038/s41467-025-57582-3
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
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. C129, 5, 2332-2340, (2025) https://doi.org/10.1021/acs.jpcc.4c07104
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
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
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
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 EcoEnergy3, 2, 459-469, (2025) https://doi.org/10.1002/ece2.89
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
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 Discovery4, 1, 252-263, (2025) https://doi.org/10.1039/D4DD00277F
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. A13, 2, 1478-1484, (2025) https://doi.org/10.1039/D4TA06334A
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
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 Calphad87, (2024) https://doi.org/10.1016/j.calphad.2024.102745
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 Reports14, 1, (2024) https://doi.org/10.1038/s41598-024-76800-4
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 Letters24, 43, 13790-13795, (2024) https://doi.org/10.1021/acs.nanolett.4c04134
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. Interfaces12, 5, (2025) https://doi.org/10.1002/admi.202400627
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
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
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
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
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 202418, 36, 24898-24908, (2024) https://doi.org/10.1021/acsnano.4c05368
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 Chemistry48, 36, 16008-16014, (2024) https://doi.org/10.1039/D4NJ02610A
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
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
Target Material Property-Dependent Cluster Analysis of Inorganic Compounds; Nobuya Sato, Akira Takahashi, Shin Kiyohara, Kei Terayama, Ryo Tamura, and Fumiyasu Oba Advanced Intelligent Systems6, 12, (2024) https://doi.org/10.1002/aisy.202400253
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 Materials5, 1, (2024) https://doi.org/10.1038/s43246-024-00580-7
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
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
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
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. C12, 12015-12025, (2024) https://doi.org/10.1039/D4TC01116C
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
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 Advances6, 17, 4346-4351, (2024) https://doi.org/10.1039/d4na00288a
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
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
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
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. Interfaces16, 19, 24889-24898, (2024) https://doi.org/10.1021/acsami.4c02517
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
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
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
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
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
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
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
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
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
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 nano18, 13, 9736-9745, (2024) https://doi.org/10.1021/acsnano.4c02101
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
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. B109, 8, (2024) https://doi.org/10.1103/PhysRevB.109.085109
Full polarization reversal at room temperature in unsubstituted AlN; Kota Hasegawa, Takao Shimizu, Takeo Ohsawa, Isao Sakaguchi, Naoki Ohashi Applied Physics Letters123, 19, (2023) https://doi.org/10.1063/5.0174236
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
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 Japan131, 7, 242-247, (2023) https://doi.org/10.2109/jcersj2.23002
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 Society146, 14, 9697-9708, (2024) https://doi.org/10.1021/jacs.3c13574
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. Interfaces16, 13, 16145-16151, (2024) https://doi.org/10.1021/acsami.3c18721
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. Interfaces16, 1, 1308-1316, (2024) https://doi.org/10.1021/acsami.3c13302
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
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
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 Films787, (2023) https://doi.org/10.1016/j.tsf.2023.140099
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
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
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: Methods3, 1, (2023) https://doi.org/10.1080/27660400.2023.2261834
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 Computation19, 19, 6770-6781, (2023) https://doi.org/10.1021/acs.jctc.3c00764
Ranking Pareto optimal solutions based on projection free energy; R. Tamura, K. Terayama, M. Sumita, K. Tsuda Physical Review Materials7, 9, (2023) https://doi.org/10.1103/PhysRevMaterials.7.093804
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
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 Physics62 , (2023) https://iopscience.iop.org/article/10.35848/1347-4065/ace330
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
Design of antimicrobial peptides containing non-proteinogenic amino acids using multi-objective Bayesian optimization; Y. Murakami, S. Ishida, Y. Demizu, K. Terayama Digital Discovery2 5, 1347-1353, (2023) https://doi.org/10.1039/D3DD00090G
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 Science13 6, (2023) https://doi.org/10.1002/wcms.1680
A framework to predict binary liquidus by combining machine learning and CALPHAD assessments; G. Deffrennes, K. Terayama, T. Abe, E. Ogamino, R. TamuraMaterials & Design232 112111, (2023) https://doi.org/10.1016/j.matdes.2023.112111
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
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 Materials6 (2023) 3504-3513 https://pubs.acs.org/doi/10.1021/acsaem.3c00060
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 Materials9 34 (2023) https://www.nature.com/articles/s41524-023-00985-x