{"id":2124,"date":"2024-01-05T18:55:33","date_gmt":"2024-01-05T09:55:33","guid":{"rendered":"https:\/\/iikubo-lab.com\/?page_id=2124"},"modified":"2026-01-12T16:55:55","modified_gmt":"2026-01-12T07:55:55","slug":"research-topics-2024","status":"publish","type":"page","link":"https:\/\/iikubo-lab.com\/?page_id=2124","title":{"rendered":"Research Topics"},"content":{"rendered":"\n

\u6700\u8fd1\u306e\u6295\u7a3f\u8ad6\u6587\u3092\u7d39\u4ecb\u3057\u307e\u3059\u3002\uff08\u904e\u53bb\u306e\u3082\u306e\u306f\u7814\u7a76\u8005\u60c5\u5831<\/a>\uff09<\/p>\n\n\n\n

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\u03b7Cu6<\/sub>Sn5<\/sub>\u76f8\u306e\u6fc3\u5ea6\u5909\u8abf\u3092\u96fb\u5b50\u9855\u5fae\u93e1\u3067\u89b3\u6e2c<\/h2>\n\n\n\n
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\u3000\u30d5\u30c3\u5316\u7269\u30b7\u30e3\u30c8\u30eb\u96fb\u6c60\u306e\u6b63\u6975\u6750\u6599\u3068\u3057\u3066Cu-Sn\u5408\u91d1\u306e\u5fae\u7d30\u69cb\u9020\u306e\u4f5c\u6210\u3092\u6025\u51b7\u51dd\u56fa\u6cd5\u306b\u3088\u308a\u8a66\u307f\u3001\u03b7Cu6<\/sub>Sn5<\/sub>\u76f8\u306b\u304a\u3051\u308b\u5fae\u7d30\u306a\u6fc3\u5ea6\u5909\u8abf\u3092\u96fb\u5b50\u9855\u5fae\u93e1\u306b\u3088\u308a\u89b3\u6e2c\u3057\u305f\u3002\u3053\u306e\u7d44\u7e54\u306e\u5f62\u6210\u30e1\u30ab\u30cb\u30ba\u30e0\u3092\u7b2c\u4e00\u539f\u7406\u8a08\u7b97\u3068\u8a08\u7b97\u72b6\u614b\u56f3\u3001\u6642\u52b9\u5b9f\u9a13\u306b\u3088\u308a\u8003\u5bdf\u3057\u305f\u3002<\/p>\n\n\n\n

Experimental and theoretical study of the microstructures in rapidly solidified Cu\u201375\u202fat% Sn alloy<\/strong><\/p>\n\n\n\n

D. Wu, Y. Tang, H. Akamine, Y. Shimada, R. Ishibashi, T. Tokunaga, S. Iikubo<\/p>\n\n\n\n

Journal of Alloys and Compounds, Volume 1049, (2025), 185408.<\/a><\/p>\n\n\n\n

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\u3000\u30da\u30ed\u30d6\u30b9\u30ab\u30a4\u30c8\u592a\u967d\u96fb\u6c60\u306e\u6b63\u5b54\u8f38\u9001\u6750\u6599\u3068\u3057\u3066\u65b0\u305f\u306b\u958b\u767a\u3055\u308c\u305f3PATAT-C3\u306b\u3064\u3044\u3066\u3001\u30a8\u30cd\u30eb\u30ae\u30fc\u30d0\u30f3\u30c9\u5909\u5316\u306e\u89b3\u70b9\u304b\u3089\u5149\u96fb\u5909\u63db\u52b9\u7387\u304c\u5411\u4e0a\u3059\u308b\u30e1\u30ab\u30cb\u30ba\u30e0\u3092\u89e3\u660e\u3057\u3001\u3055\u3089\u306a\u308b\u5411\u4e0a\u306e\u305f\u3081\u306e\u8a2d\u8a08\u6307\u91dd\u3092\u63d0\u6848\u3057\u305f\u3002<\/p>\n\n\n\n

Optimization of Band Alignment by Organic Molecules for Perovskite Solar Cells<\/strong><\/p>\n\n\n\n

N. Sekiguchi, Y. Tsuji, M. A. Truong, A. Wakamiya, S. Iikubo<\/p>\n\n\n\n

J. Phys. Chem. C 2025, 129, 18, 8500\u20138508<\/a><\/p>\n\n\n\n

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\u5de8\u5927\u6b6a\u52a0\u5de5\u306b\u3088\u308bBi2<\/sub>Te3<\/sub>\u306e\u71b1\u96fb\u7279\u6027\u306e\u5411\u4e0a<\/h2>\n\n\n\n
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\u3000\u71b1\u96fb\u6750\u6599\u3068\u3057\u3066\u512a\u308c\u305f\u6027\u8cea\u3092\u793a\u3059Bi2<\/sub>Te3<\/sub>\u306b\u5de8\u5927\u6b6a\u52a0\u5de5\u3092\u65bd\u3059\u3053\u3068\u3067\u3001\u71b1\u96fb\u7279\u6027\u304c\u5411\u4e0a\u3059\u308b\u3053\u3068\u3092\u898b\u51fa\u3057\u305f\u3002\u3055\u3089\u306b\u7b2c\u4e00\u539f\u7406\u8a08\u7b97\u306b\u3088\u3063\u3066\u305d\u306e\u30e1\u30ab\u30cb\u30ba\u30e0\u3092\u8abf\u67fb\u3057\u305f\u3002<\/p>\n\n\n\n

Improving thermoelectric properties of Bi2<\/sub>Te3<\/sub> by straining under high pressure: Experiment and DFT calculation<\/strong><\/p>\n\n\n\n

Q. Wang, Y. Tang, A. Miura, K. Miyazaki, Z. Horita, S. Iikubo<\/p>\n\n\n\n

Scripta Materialia 243 (2024) 115991<\/a><\/p>\n\n\n\n

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\u3000\u6b21\u4e16\u4ee3\u8eca\u8f09\u7528\u96fb\u6c60\u3068\u3057\u3066\u958b\u767a\u304c\u9032\u3081\u3089\u308c\u3066\u3044\u308b\u30d5\u30c3\u5316\u7269\u30b7\u30e3\u30c8\u30eb\u96fb\u6c60\u306b\u3064\u3044\u3066\u3001\u6b63\u6975\u6d3b\u7269\u8cea\u3067\u3042\u308bCu\u3068\u30d5\u30c3\u5316\u7269\u30a4\u30aa\u30f3\u306e\u4f1d\u5c0e\u7d4c\u8def\u3068\u306a\u308bLa\u306e\u5fae\u7d30\u69cb\u9020\u3092\u3001\u6025\u51b7\u51dd\u56fa\u88c5\u7f6e\u3092\u7528\u3044\u305f\u7d44\u7e54\u5236\u5fa1\u306b\u3088\u308a\u4f5c\u6210\u3059\u308b\u65b9\u6cd5\u3092\u958b\u767a\u3057\u305f\u3002<\/p>\n\n\n\n

Microstructure contro<\/strong>l and its observation of rapid solidification Cu\u2013La alloy for the development of fluoride-ion batteries<\/strong><\/p>\n\n\n\n

S. Zhu, H. Akamine, Y. Nagahata, T. Tojigamori, H. Miki, Y. Zhang, T. Tokunaga, S. Iikubo<\/p>\n\n\n\n

Journal of Alloys and Compounds 930, 5, 2023, 167447<\/a><\/p>\n\n\n\n

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\u30de\u30eb\u30c1\u30b9\u30b1\u30fc\u30eb\u30fb\u30de\u30eb\u30c1\u30c7\u30a3\u30e1\u30f3\u30b8\u30e7\u30ca\u30eb\u306a\u6750\u6599\u7d44\u7e54\u89e3\u6790\u30c7\u30fc\u30bf\u304b\u3089\u7d44\u7e54\u5f62\u6210\u904e\u7a0b\u306e\u63a8\u5b9a\u3001\u3055\u3089\u306b\u306f\u30d7\u30ed\u30bb\u30b9\u6539\u5584\u3078\u3068\u30d5\u30a3\u30fc\u30c9\u30d0\u30c3\u30af\u3057\u3001\u6838\u878d\u5408\u7089\u5fdc\u7528\u306e\u305f\u3081\u306e\u9ad8\u5f37\u5ea6\uff0d\u9ad8\u5ef6\u6027\uff0d\u9ad8\u71b1\u4f1d\u5c0e\u6027\u9285\u5408\u91d1\u306e\u958b\u767a\u3092\u9032\u3081\u3066\u3044\u308b\u3002<\/p>\n\n\n\n

Microstructure and mechanical property of Y2<\/sub>O3<\/sub>-based ODS-Cu alloy fabricated by MA-HIP with novel elemental addition process<\/strong><\/p>\n\n\n\n

Y. Shimada, Y. Nakajima, Y. Hishinuma, K. Ikeda, H. Noto, T. Muroga, K. Yoshida, T. J Konno, Y. Nagai<\/p>\n\n\n\n

Materials Chemistry and Physics 307<\/strong> (2023) 128223<\/a><\/p>\n\n\n\n

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\u591a\u7d50\u6676\u8d85\u4f1d\u5c0e\u30d0\u30eb\u30af\u4f53\u306e\u4e09\u6b21\u5143\u7d44\u7e54\u5b9a\u91cf\u5316\u89e3\u6790\uff1a\u65ad\u5c64SEM\u50cf\u306b\u3064\u3044\u3066\u6df1\u5c64\u5b66\u7fd2\u306b\u3088\u308b\u76f8\u8b58\u5225\u3092\u9069\u7528\u3059\u308b\u3053\u3068\u3067\u3001\u4e09\u6b21\u5143\u7d44\u7e54\u306e\u30e2\u30c7\u30eb\u5316\u306b\u6210\u529f\u3002\u3055\u3089\u306b\u96fb\u6d41\u7279\u6027\u306b\u5f71\u97ff\u3092\u53ca\u307c\u3059\u65b0\u898f\u4e09\u6b21\u5143\u30d1\u30e9\u30e1\u30fc\u30bf\u306e\u62bd\u51fa\u3092\u884c\u3063\u305f\u3002\uff08\u95a2\u9023\u30d7\u30ec\u30b9\u30ea\u30ea\u30fc\u30b9<\/a>\uff09<\/p>\n\n\n\n

Three-dimensional microstructure and critical current properties of ultrafine grain Ba(Fe,Co)2<\/sub>As2<\/sub> bulk superconductors<\/strong><\/p>\n\n\n\n

Y. Shimada, S. Tokuta, A. Yamanaka, A. Yamamoto, T. J. Konno<\/p>\n\n\n\n

Journal of Alloys and Compounds <\/em>923 <\/strong>(2022) 166358<\/a><\/p>\n\n\n\n

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\u3000\u5de8\u5927\u6b6a\u52a0\u5de5\u306b\u3088\u308a\u3001\u6709\u6a5f\u7121\u6a5f\u30da\u30ed\u30d6\u30b9\u30ab\u30a4\u30c8MASnI3<\/sub>\u306e\u69cb\u9020\u5b89\u5b9a\u6027\u3001\u96fb\u6c17\u4f1d\u5c0e\u7387\u3001\u30bc\u30fc\u30d9\u30c3\u30af\u4fc2\u6570\u304c\u5411\u4e0a\u3057\u3001\u71b1\u96fb\u7279\u6027\u304c\u5411\u4e0a\u3059\u308b\u3053\u3068\u3092\u898b\u51fa\u3057\u305f\u3002\u307e\u305f\u7b2c\u4e00\u539f\u7406\u8a08\u7b97\u306b\u3088\u308a\u3001\u30ad\u30e3\u30ea\u30a2\u79fb\u52d5\u5ea6\u3068\u30ad\u30e3\u30ea\u30a2\u6fc3\u5ea6\u304c\u96fb\u6c17\u4f1d\u5c0e\u7387\u3068\u30bc\u30fc\u30d9\u30c3\u30af\u4fc2\u6570\u306b\u4e0e\u3048\u308b\u5f71\u97ff\u3092\u660e\u3089\u304b\u306b\u3057\u305f\u3002<\/p>\n\n\n\n

Structural and thermoelectric properties of CH3<\/sub>NH3<\/sub>SnI3<\/sub> perovskites processed by applying high pressure with shear strain<\/strong><\/p>\n\n\n\n

Q. Wang, Y. Tang, Z. Horita, S. Iikubo<\/p>\n\n\n\n

Materials Research Letters, 2022, 10, 8, 521-529<\/a><\/p>\n\n\n\n

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\u3000\u74b0\u5883\u554f\u984c\u306b\u914d\u616e\u3057\u305f\u925b\u3092\u542b\u307e\u306a\u3044\u6709\u6a5f\u7121\u6a5f\u30da\u30ed\u30d6\u30b9\u30ab\u30a4\u30c8\u592a\u967d\u96fb\u6c60\u306b\u3064\u3044\u3066\u8a08\u7b97\u79d1\u5b66\u3092\u7528\u3044\u305f\u63a2\u7d22\u3092\u884c\u3063\u305f\u3002MASnI3<\/sub>\u306b\u3055\u307e\u3056\u307e\u306a\u6dfb\u52a0\u5143\u7d20\u3092\u30c9\u30fc\u30d7\u3057\u3066\u3001\u5149\u96fb\u5909\u63db\u52b9\u7387\u3092\u5411\u4e0a\u3055\u305b\u308b\u53ef\u80fd\u6027\u306e\u3042\u308b\u6dfb\u52a0\u5143\u7d20\u3092\u63d0\u6848\u3057\u305f\u3002<\/p>\n\n\n\n

Structural stability and optical properties of tin- based iodide perovskite<\/strong><\/p>\n\n\n\n

A. Ide, S. Iikubo, K. Yamamoto, Q. Shen, K. Yoshino, T. Minemoto, and S. Hayase <\/p>\n\n\n\n

Japanese Journal of Applied Physics 61, 031003 (2022)<\/a><\/p>\n\n\n\n

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\u3000\u65b0\u898f\u306a\u71b1\u96fb\u6750\u6599\u3092\u958b\u767a\u3059\u308b\u76ee\u7684\u3067\u3001Bi2<\/sub>Te3<\/sub>\u3068CH3<\/sub>NH3<\/sub>SnI3<\/sub>\u306e\u754c\u9762\u3067\u71b1\u4f1d\u5c0e\u304c\u6291\u5236\u3055\u308c\u308b\u52b9\u679c\u306b\u3064\u3044\u3066\u8a08\u7b97\u79d1\u5b66\u306b\u3088\u308a\u8a73\u3057\u304f\u8abf\u3079\u305f\u3002Diffuse mismatch model\u3092\u7528\u3044\u305f\u8a08\u7b97\u7d50\u679c\u3067\u306f\u3001\u3053\u306e\u754c\u9762\u3067\u71b1\u4f1d\u5c0e\u304c\u5927\u304d\u304f\u6291\u5236\u3055\u308c\u3001\u71b1\u96fb\u6750\u6599\u3068\u3057\u3066\u6709\u7528\u3067\u3042\u308b\u3053\u3068\u304c\u793a\u3055\u308c\u305f\u3002<\/p>\n\n\n\n

Electronic structure and thermal conductance of the MASnI3<\/sub>\/Bi2<\/sub>Te3<\/sub> interface: a first\u2010principles study<\/strong><\/p>\n\n\n\n

M. Morimoto, S. Kawano, S. Miyamoto, K. Miyazaki, S. Hayase, and S. Iikubo<\/p>\n\n\n\n

Scientific Reports volume 12, Article number: 217 (2022)<\/a><\/p>\n\n\n\n

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\u898f\u5247\u5408\u91d1\u3092\u30bf\u30fc\u30b2\u30c3\u30c8\u306b\u96fb\u5b50\u7dda\u7167\u5c04\u306b\u3088\u308b\u9078\u629e\u7684\u306a\u539f\u5b50\u306f\u3058\u304d\u51fa\u3057\u3068\u52a0\u71b1\u306b\u3088\u308b\u539f\u5b50\u62e1\u6563\u306e\u4fc3\u9032\u3092\u7d44\u307f\u5408\u308f\u305b\u308b\u3053\u3068\u3067\u3001\u30d0\u30eb\u30af\u3067\u306f\u307f\u3089\u308c\u306a\u3044\u7d44\u7e54\u5909\u5316\u3092\u898b\u51fa\u3057\u305f\u3002<\/p>\n\n\n\n

In situ thermal annealing transmission electron microscopy of irradiation induced Fe nanoparticle precipitation in Fe\u2013Si alloy<\/strong><\/p>\n\n\n\n

Y. Shimada, Y. Ikeda, K. Yoshida, M. Sato, J. Chen, Y. Du, K. Inoue, R. Maa\u00df, Y. Nagai, T. J. Konno<\/p>\n\n\n\n

Journal of Applied Physics <\/em>131<\/strong> (2022) 164902<\/a><\/p>\n\n\n\n

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\u3000\u30cf\u30e9\u30a4\u30c9\u30da\u30ed\u30d6\u30b9\u30ab\u30a4\u30c8\u306f\u4f4e\u3044\u71b1\u4f1d\u5c0e\u3092\u793a\u3059\u3053\u3068\u304c\u77e5\u3089\u308c\u3066\u3044\u308b\u3002\u81ea\u5df1\u7121\u649e\u7740\u30d5\u30a9\u30ce\u30f3(SCPH)\u6cd5\u3092\u7528\u3044\u3066\u3001\u30cf\u30e9\u30a4\u30c9\u30da\u30ed\u30d6\u30b9\u30ab\u30a4\u30c8\u306e\u683c\u5b50\u71b1\u4f1d\u5c0e\u3092\u8a08\u7b97\u3057\u3001\u4f4e\u71b1\u4f1d\u5c0e\u306e\u8d77\u6e90\u306b\u3064\u3044\u3066\u8abf\u3079\u305f\u3002\u30cf\u30ed\u30b2\u30f3\u30a4\u30aa\u30f3\u306e\u9055\u3044\u306b\u3088\u3063\u3066\u683c\u5b50\u71b1\u4f1d\u5c0e\u304c\u5358\u7d14\u3067\u306f\u306a\u3044\u5909\u5316\u3092\u793a\u3059\u3053\u3068\u3092\u898b\u51fa\u3057\u305f\u3002\u307e\u305f\u3053\u306e\u539f\u56e0\u306f\u3001\u539f\u5b50\u9593\u306e\u7d50\u5408\u6027\u306e\u9055\u3044\u306b\u3088\u308b\u3082\u306e\u3067\u3042\u308b\u53ef\u80fd\u6027\u3092\u6307\u6458\u3057\u305f\u3002<\/p>\n\n\n\n

Effect of Halogen Ions on the Low Thermal Conductivity of Cesium Halide Perovskite<\/strong><\/p>\n\n\n\n

S. Kawano, T. Tadano,  S. Iikubo<\/p>\n\n\n\n

J. Phys. Chem. C 2021, 125, 91\u201397.<\/a><\/p>\n\n\n\n

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\u71b1\u96fb\u5909\u63db\u6750\u6599Bi2<\/sub>Te3<\/sub>\u306e\u8868\u9762\u306e\u96fb\u5b50\u72b6\u614b<\/h2>\n\n\n\n
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\u3000\u512a\u308c\u305f\u71b1\u96fb\u7279\u6027\u3092\u793a\u3059Bi2<\/sub>Te3<\/sub>\u3092\u5229\u7528\u3057\u305f\u754c\u9762\u306b\u3088\u308b\u71b1\u5236\u5fa1\u3092\u76ee\u7684\u3068\u3057\u3066\u3001Bi2<\/sub>Te3<\/sub>\u306e\u8868\u9762\u306e\u96fb\u5b50\u72b6\u614b\u306b\u3064\u3044\u3066\u3001\u7b2c\u4e00\u539f\u7406\u8a08\u7b97\u306b\u3088\u308a\u660e\u3089\u304b\u306b\u3057\u305f\u3002<\/p>\n\n\n\n

Structural stability and electronic property evaluations for different Bi2<\/sub>Te3<\/sub> (0 0 1) termination surfaces<\/strong><\/p>\n\n\n\n

M. Morimoto, S. Kawano, K. Miyazaki, S. Iikubo<\/p>\n\n\n\n

Applied Surface Science Volume 525, 30 September 2020, 146454<\/a><\/p>\n\n\n\n

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\u6709\u6a5f\u7121\u6a5f\u30da\u30ed\u30d6\u30b9\u30ab\u30a4\u30c8\u306e\u71b1\u96fb\u7279\u6027\u8a08\u7b97<\/h2>\n\n\n\n
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\u3000\u6709\u6a5f\u7121\u6a5f\u30da\u30ed\u30d6\u30b9\u30ab\u30a4\u30c8\u306e\u71b1\u96fb\u5fdc\u7528\u3092\u76ee\u6307\u3057\u3066\u3001\u5b89\u5b9a\u306a\u56fa\u6eb6\u72b6\u614b\u306e\u30da\u30ed\u30d6\u30b9\u30ab\u30a4\u30c8\u5316\u5408\u7269\u3092\u30af\u30e9\u30b9\u30bf\u30fc\u5c55\u958b\u6cd5\u306b\u3088\u308a\u63a2\u7d22\u3057\u3001\u305d\u308c\u3089\u306e\u71b1\u96fb\u7279\u6027\u3092\u7b2c\u4e00\u539f\u7406\u8a08\u7b97\u306b\u3088\u308a\u660e\u3089\u304b\u306b\u3057\u305f\u3002<\/p>\n\n\n\n

First-principles study of thermoelectric properties of mixed iodide perovskite Cs(B,B’)I3<\/sub> (B, B’ = Ge, Sn, and Pb)<\/p>\n\n\n\n

K. Yamamoto , G. Narita , J. Yamasaki , S. Iikubo<\/p>\n\n\n\n

Journal of Physics and Chemistry of Solids 140 (2020) 109372<\/a><\/p>\n\n\n\n

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\u9577\u5468\u671f\u7a4d\u5c64\u69cb\u9020\u306e\u5f62\u6210\u30e1\u30ab\u30cb\u30ba\u30e0\u8a08\u7b97<\/h2>\n\n\n\n
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\u3000\u512a\u308c\u305f\u5f37\u5ea6\u3092\u793a\u3059\u9577\u5468\u671f\u7a4d\u5c64(LPSO)\u30de\u30b0\u30cd\u30b7\u30a6\u30e0\u5408\u91d1\u306b\u3064\u3044\u3066\u3001\u7b2c\u4e00\u539f\u7406\u8a08\u7b97\u3068Solid-state nudged elastic band (SSNEB)\u6cd5\u3092\u7528\u3044\u3066\u3001LPSO\u69cb\u9020\u306e\u5f62\u6210\u30e1\u30ab\u30cb\u30ba\u30e0\u3001\u7a4d\u5c64\u6b20\u9665\u5c0e\u5165\u306e\u8981\u56e0\u3092\u8abf\u67fb\u3057\u305f\u3002<\/p>\n\n\n\n

Role of substituted atoms on stacking fault formation in long-period stacking ordered system<\/strong><\/p>\n\n\n\n

S. Kawano, S. Iikubo, and H. Ohtani<\/p>\n\n\n\n

Computational Materials Science 171 (2020) 109210.<\/a><\/p>\n\n\n\n

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\u9244\u306eFCC\u2192HCP\u5909\u614b\u306b\u5bfe\u3059\u308b\u6c34\u7d20\u306e\u5f71\u97ff<\/h2>\n\n\n\n
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\u3000\u6c34\u7d20\u306e\u5c0e\u5165\u306b\u3088\u308b\u30de\u30eb\u30c6\u30f3\u30b5\u30a4\u30c8\u5909\u614b\u306e\u6291\u5236\u30e1\u30ab\u30cb\u30ba\u30e0\u3092\u89e3\u660e\u3059\u308b\u76ee\u7684\u3067\u3001\u6c34\u7d20\u3092\u914d\u7f6e\u3057\u305fFCC-Fe\u3068HCP-Fe\u306e\u5b89\u5b9a\u6027\u306b\u3064\u3044\u3066\u8abf\u3079\u305f\u3002\u7b2c\u4e00\u539f\u7406\u8a08\u7b97\u3068Solid-state nudged elastic band (SSNEB)\u6cd5\u3092\u7528\u3044\u3066\u3001\u69cb\u9020\u5909\u614b\u4e2d\u306e\u30a8\u30cd\u30eb\u30ae\u30fc\u5909\u5316\u3092\u660e\u3089\u304b\u306b\u3057\u305f\u3002<\/p>\n\n\n\n

First-principles study of chemical driving force for face centered cubic to hexagonal close packed martensitic transformation in hydrogen-charged iron<\/strong><\/p>\n\n\n\n

Y. Kuroki, S. Kawano, S. Iikubo, H. Ohtani, M. Koyama, and K. Tsuzaki<\/p>\n\n\n\n

Metall and Mat Trans A (2019) 50:3019-3023<\/a><\/p>\n\n\n\n

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\u6709\u6a5f\u7121\u6a5f\u30da\u30ed\u30d6\u30b9\u30ab\u30a4\u30c8\u306e\u4e0d\u7d14\u7269\u52b9\u679c<\/h2>\n\n\n\n
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\u3000\u6709\u6a5f\u7121\u6a5f\u30da\u30ed\u30d6\u30b9\u30ab\u30a4\u30c8\u304c\u4e0d\u7d14\u7269\u306e\u5f71\u97ff\u306b\u3088\u308a\u96fb\u6c17\u4f1d\u5c0e\u5ea6\u304c\u5927\u304d\u304f\u5909\u5316\u3059\u308b\u3053\u3068\u304c\u5b9f\u9a13\u7684\u306b\u5831\u544a\u3055\u308c\u305f\u3053\u3068\u304b\u3089\u3001\u305d\u306e\u8d77\u6e90\u306b\u3064\u3044\u3066\u8abf\u3079\u305f\u3002\u6709\u6a5f\u7121\u6a5f\u30da\u30ed\u30d6\u30b9\u30ab\u30a4\u30c8\u306b\u4e0d\u7d14\u7269\u5143\u7d20\u3092\u5c0e\u5165\u3057\u305f\u7d50\u6676\u69cb\u9020\u30e2\u30c7\u30eb\u3092\u4f5c\u6210\u3057\u3001\u7b2c\u4e00\u539f\u7406\u8a08\u7b97\u3068COHP\u89e3\u6790\u3092\u7528\u3044\u3066\u3001\u4e0d\u7d14\u7269\u306e\u5b89\u5b9a\u6027\u3068\u5b89\u5b9a\u5316\u306e\u8d77\u6e90\u306b\u3064\u3044\u3066\u660e\u3089\u304b\u306b\u3057\u305f\u3002<\/p>\n\n\n\n

First-principles study of atomic location and its effect on the electronic state of impurity elements in hybrid organic\u2013inorganic perovskites<\/strong><\/p>\n\n\n\n

J. Yamasaki, S. Iikubo*, K. Yamamoto, K. Tanaka, Y. Ogomi, and S. Hayase<\/p>\n\n\n\n

Journal of Solid State Chemistry 293 (2021) 121785<\/a><\/p>\n\n\n\n

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\u9244\u92fc\u6750\u6599\u306b\u304a\u3044\u3066\u6c34\u7d20\u306b\u3088\u308b\u7570\u5e38\u306a\u5909\u614b\u6291\u5236\u52b9\u679c\u3092\u767a\u898b<\/h2>\n\n\n\n
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\u3000\u7acb\u65b9\u6676fcc\u69cb\u9020\u3092\u6709\u3059\u308b\u9244\u92fc\u6750\u6599\u306b\u304a\u3044\u3066\u3001\u6c34\u7d20\u542b\u6709\u91cf\u304c\u5897\u52a0\u3059\u308b\u307b\u3069\u516d\u65b9\u6676hcp\u76f8\u306e\u751f\u6210\u304c\u6291\u5236\u3055\u308c\u308b\u3053\u3068\u3092\u4e16\u754c\u3067\u521d\u3081\u3066\u5b9f\u9a13\u7684\u306b\u767a\u898b\u3057\u305f\u3002<\/p>\n\n\n\n

An unconventional hydrogen effect that suppresses thermal formation of the hcp phase in fcc steels<\/strong><\/p>\n\n\n\n

M. Koyama, K. Hirata, Y. Abe, A. Mitsuda, S. Iikubo, K. Tsuzaki<\/p>\n\n\n\n

Scientific Reports 8, (2018) 16136.<\/a><\/p>\n\n\n\n

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\u9244\u4e2d\u306e\u6c34\u7d20\u62e1\u6563\u6319\u52d5\u3092\u8a08\u7b97<\/h2>\n\n\n\n
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\u3000\u9244\u92fc\u6750\u6599\u306b\u304a\u3051\u308b\u6c34\u7d20\u306e\u62e1\u6563\u6319\u52d5\u306b\u3064\u3044\u3066\u7b2c\u4e00\u539f\u7406\u8a08\u7b97\u3092\u7528\u3044\u3066\u8abf\u3079\u305f\u3002\u9244\u306eBCC\u3001FCC\u3001HCP\u69cb\u9020\u306b\u6c34\u7d20\u3092\u5c0e\u5165\u3057\u3001Nudged Elastic Band(NEB)\u6cd5\u3092\u7528\u3044\u3066\u62e1\u6563\u4fc2\u6570\u3092\u7b97\u51fa\u3057\u305f\u3002<\/p>\n\n\n\n

First-Principles Study on Hydrogen Diffusivity in BCC, FCC, and HCP Iron<\/strong><\/p>\n\n\n\n

K. Hirata, S. Iikubo, M. Koyama, K. Tsuzaki, H. Ohtani<\/p>\n\n\n\n

Metallurgical and Materials Transactions A (2018) 4815-9. <\/a><\/p>\n\n\n\n

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\u30ea\u30c1\u30a6\u30e0\u30a4\u30aa\u30f3\u96fb\u6c60\u306e\u56fa\u4f53\u96fb\u89e3\u8cea<\/h2>\n\n\n\n
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\u3000\u30ea\u30c1\u30a6\u30e0\u30a4\u30aa\u30f3\u96fb\u6c60\u306e\u56fa\u4f53\u96fb\u89e3\u8cea\u306e\u7269\u8cea\u63a2\u7d22\u3092\u3001\u7b2c\u4e00\u539f\u7406\u8a08\u7b97\u3068\u9032\u5316\u7684\u30a2\u30eb\u30b4\u30ea\u30ba\u30e0\u3092\u7528\u3044\u3066\u884c\u3063\u305f\u3002Li3PS4\u306b\u3064\u3044\u3066\u3001\u9ad8\u5727\u4e0b\u3067\u65b0\u7269\u8cea\u306e\u5b58\u5728\u3092\u4e88\u6e2c\u3057\u305f\u3002\u307e\u305fP=5 GPa\u306e\u5727\u529b\u4e0b\u3067\u3001\u4e88\u6e2c\u3055\u308c\u305f\u03b4-Li3<\/sub>PS4<\/sub>\u304c\u5b89\u5b9a\u5316\u3059\u308b\u3053\u3068\u3092\u5727\u529b\u4e0b\u306e\u653e\u5c04\u5149X\u7dda\u56de\u6298\u5b9f\u9a13\uff08SPring-8\uff09\u3067\u78ba\u8a8d\u3057\u305f\u3002<\/p>\n\n\n\n

Novel stable structure of Li3<\/sub>PS4<\/sub> predicted by evolutionary algorithm under high-pressure<\/strong><\/p>\n\n\n\n

S. Iikubo, K. Shimoyama, S. Kawano, M. Fujii, K. Yamamoto, M. Matsushita, T. Shinmei, Y. Higo, and H. Ohtani<\/p>\n\n\n\n

AIP Advances 8, 015008 (2018)<\/a><\/p>\n\n\n\n

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\u30da\u30ed\u30d6\u30b9\u30ab\u30a4\u30c8\u578b\u592a\u967d\u96fb\u6c60\u306e\u6750\u6599\u63a2\u7d22<\/h2>\n\n\n\n
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\u3000\u6709\u6a5f\u7121\u6a5f\u30da\u30ed\u30d6\u30b9\u30ab\u30a4\u30c8\u306f\u592a\u967d\u96fb\u6c60\u306e\u5149\u5438\u53ce\u5c64\u3068\u3057\u3066\u512a\u308c\u305f\u6027\u8cea\u3092\u793a\u3059\u3002\u7b2c\u4e00\u539f\u7406\u8a08\u7b97\u3068\u30af\u30e9\u30b9\u30bf\u30fc\u5c55\u958b\u6cd5\u3092\u7528\u3044\u3066\u3001\u6709\u6a5f\u7121\u6a5f\u30da\u30ed\u30d6\u30b9\u30ab\u30a4\u30c8\u306e\u90e8\u5206\u7f6e\u63db\u7cfb\u306e\u5b89\u5b9a\u6027\u3092\u8abf\u67fb\u3057\u305f\u3002<\/p>\n\n\n\n

Structural Stability of Iodide Perovskite: A Combined Cluster Expansion Method and First-Principles Study<\/strong><\/p>\n\n\n\n

K. Yamamoto, S. Iikubo, J. Yamasaki, Y. Ogomi, and S. Hayase<\/p>\n\n\n\n

J. Phys. Chem. C (2017), 121, 27797\u221227804<\/a><\/p>\n\n\n\n

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\u786b\u9ec4\u3092\u4f7f\u3063\u305f\u9244\u92fc\u306e\u7279\u6027\u5236\u5fa1\u306e\u305f\u3081\u306e\u8a08\u7b97\u72b6\u614b\u56f3\u4f5c\u6210<\/h2>\n\n\n\n
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\u3000\u9244\u92fc\u6750\u6599\u306e\u7279\u6027\u3092\u786b\u9ec4\u3067\u5236\u5fa1\u3059\u308b\u3053\u3068\u304c\u884c\u308f\u308c\u3066\u304a\u308a\u3001\u72b6\u614b\u56f3\u306f\u6709\u7528\u306a\u60c5\u5831\u3092\u3082\u305f\u3089\u3059\u3002\u7b2c\u4e00\u539f\u7406\u8a08\u7b97\u3092\u4f7f\u3063\u3066\u30ae\u30d6\u30b9\u30a8\u30cd\u30eb\u30ae\u30fc\u3092\u6c7a\u5b9a\u3057\u3001CALPHAD(CALculation of PHAse Diagrams)\u6cd5\u306b\u3088\u308a\u3001\u4efb\u610f\u306e\u7d44\u6210\u6bd4\u3001\u6e29\u5ea6\u306b\u304a\u3051\u308b\u8a08\u7b97\u72b6\u614b\u56f3\u3092\u4f5c\u6210\u3057\u305f\u3002<\/p>\n\n\n\n

Thermodynamic assessment of Fe\u2013Ti\u2013S ternary phase diagram<\/strong><\/p>\n\n\n\n

K. Hirata, S. Iikubo, H. Fujimoto, H. Ohtani<\/p>\n\n\n\n

CALPHAD 57 (2017) 62\u201377 <\/a><\/p>\n\n\n\n

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\u30ea\u30c1\u30a6\u30e0\u30a4\u30aa\u30f3\u96fb\u6c60\u306e\u56fa\u4f53\u96fb\u89e3\u8cea<\/h2>\n\n\n\n
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\u3000Li10<\/sub>GeP2<\/sub>S12<\/sub>\u306f\u30ea\u30c1\u30a6\u30e0\u30a4\u30aa\u30f3\u96fb\u6c60\u306e\u56fa\u4f53\u96fb\u89e3\u8cea\u3068\u3057\u3066\u5b9f\u7528\u5316\u304c\u9032\u3081\u3089\u308c\u3066\u3044\u308b\u3002\u53e4\u5178\u5206\u5b50\u52d5\u529b\u5b66\u3092\u7528\u3044\u3066Li10<\/sub>GeP2<\/sub>S12<\/sub>\u306b\u304a\u3051\u308b\u30ea\u30c1\u30a6\u30e0\u30a4\u30aa\u30f3\u306e\u62e1\u6563\u6319\u52d5\u3092\u8a73\u3057\u304f\u8abf\u3079\u305f\u3002<\/p>\n\n\n\n

Molecular dynamics study of the diffusion behaviour of Li in Li10<\/sub>GeP2<\/sub>S12<\/sub><\/strong><\/p>\n\n\n\n

S. Kawano, and S. Iikubo<\/p>\n\n\n\n

Pertanika J. Sci. & Technol. 25 (1): 247 – 254 (2017)<\/a><\/p>\n\n\n\n

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