CMP-MLの皆様
3月27日 （木）16時よりYoung-Woo Son先生 (KIAS)に
第一原理拡張ハバードモデルに関して、ご講演頂きます。
ハイブリッド形式ですが、オンラインでのご参加も歓迎致します。
Zoom URLは forms.gle/TyVWrchpNAWRrgu98
から登録後にメールにて取得できます。
奮ってご参加下さい。
尾崎泰助
東京大学物性研究所
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前略
下記のとおり、物性研究所 理論セミナーを行いますのでお知らせいたします。
皆様のご参加を歓迎致します。
＊ 今回は通常とは異なり木曜日の開催ですのでご注意ください。
（物性研究所6階第5セミナー室（A615）及び ZOOMのHybrid開催です。
ZOOM参加をご希望の方は下記リンク先にて事前登録をお願いいたします。）
Dear Colleagues,
The following Theory Seminar will be held. (On Zoom and Seminar Room 5, Hybrid）
You are very welcome to attend.
＊Please note that this seminar will be held on Thursday, unlike usual.
(If you would like to participate online, please make a registration through the link below in advance.）
URL: <forms.gle/TyVWrchpNAWRrgu98> forms.gle/TyVWrchpNAWRrgu98
==========================
Date : Thursday, March 27th, 2025 4:00 pm – 5:00 pm
Place : On Zoom and Seminar Room 5 (A615), ISSP （Hybrid）
Speaker： Prof. Young-Woo Son (Korea Institute for Advanced Study)
Title: Ab initio extended Hubbard interactions
Abstract：
In this talk, I will present my group and coworkers’ recent efforts to develop an efficient first-principles calculation method to compute electronic structures, phonon dispersions, and electron-phonon interactions of correlated materials [1-10]. The method can obtain self-consistent on-site and inter-site Hubbard interactions using newly developed position-dependent pseudohybrid functionals [1]. All the interactions can be evaluated within self-consistent loops without serious additional costs such that the method can be as fast as conventional ab initio methods with (semi)local density approximations while its accuracy is comparable to sophisticated methods such as GW approximation [1,3,5-7].
I will demonstrate that the newly developed method can compute accurate quasiparticle bands structures of various materials [1-4], phonon dispersions of correlated insulators [5] and charge-ordered materials [6], energy band splitting owing to spin-orbit coupling [7], charged defects states in oxides [8], ferroelectric properties of perovskite oxides [9] and electron-phonon interactions in transparent oxides [10]. Considering its improved accuracy with low computational costs, our new computational method is expected to contribute massive database-driven high-throughput quantum materials researches.
[1] S.-H. Lee and Y.-W. Son, Phys. Rev. Research 2, 043410 (2020).
[2] J. Huang et al., Phys. Rev. B 102, 165157 (2020).
[3] W. Yang et al., Phys. Rev. B 104, 104313 (2021).
[4] Y.-W. Son et al., Nano Lett. 22, 3112 (2022).
[5] W. Yang et al., J. Phys.: Condens. Matter 34 295601 (2022).
[6] B. G. Jang et al., Phys. Rev. Lett. 130, 136401 (2023).
[7] W. Yang et al., Phys. Rev. B 110, 155133 (2024).
[8] Y. Yang et al., arXiv:2409.01795
[9] M. C. Choi et al, arXiv:2502.00391
[10] W. Yang et al., in preparation (2025).
Please also refer to the following URL:
<www.issp.u-tokyo.ac.jp/maincontents/seminar/all2_en.html?pid=26490&ptype=seminar> www.issp.u-tokyo.ac.jp/maincontents/seminar/all2_en.html?pid=26490&ptype=seminar
<www.issp.u-tokyo.ac.jp/maincontents/seminar/all2.html?pid=26490> www.issp.u-tokyo.ac.jp/maincontents/seminar/all2.html?pid=26490
Contact: Taisuke Ozaki
e-mail: <mailto:t-ozaki@issp.u-tokyo.ac.jp> t-ozaki@issp.u-tokyo.ac.jp
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EGUCHI, Hiroko
ISSP, The University of Tokyo
5-1-5 Kashiwanoha, Kashiwa, Chiba 277-8581 Japan
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