Dataset for Compensated ferrimagnets with colossal spin splitting in organic compounds

k-yoshimi / edottf

更新: 2024-05-02

概要

This dataset is associated with a study on exotic collinear antiferromagnets focusing on altermagnetism and compensated ferrimagnets that exhibit unique spin splittings in their electronic band structures. Altermagnets show anisotropic spin splitting, while compensated ferrimagnets have isotropic spin splitting. This research proposes the realization of such ferrimagnets in a new organic compound, (EDO-TTF-I)$2$ClO$4$, based on $ab$ $initio$ calculations. This repository includes the data including input and output data for ab initio calculations by Quantum ESPRESSO, downfolding by RESPACK, and the many-variable variational Monte Carlo method by mVMC.

URL: https://isspns-gitlab.issp.u-tokyo.ac.jp/k-yoshimi/edottf
DOI: 10.1103/PhysRevLett.132.156502
被引用数: 24 件（OpenAlex、2026-10-05 時点）
著者: Taiki Kawamura, Kazuyoshi Yoshimi, Kenichiro Hashimoto, Akito Kobayashi, Takahiro Misawa
ライセンス: CC BY 4.0
キーワード: compensated ferrimagnetsorganic magnetsdimer structurespin current generationtime-reversal symmetry breakingcollinear antiferromagnetsaltermagnetsorganic conductors（論文のキーワード、OpenAlex より）
カテゴリ: 電子状態計算（固体物理）, 強相関電子系・有効模型
関連文献: Taiki Kawamura, Kazuyoshi Yoshimi, Kenichiro Hashimoto, Akito Kobayashi, and Takahiro Misawa Phys. Rev. Lett. 132, 156502(2024).
関連ソフトウェア: Quantum ESPRESSO, RESPACK, mVMC (リンク先: PASUMS ソフトウェアカタログ)
連絡先: k-yoshimi__at__issp.u-tokyo.ac.jp,tmisawa__at__issp.u-tokyo.ac.jp,akito__at__s.phys.nagoya-u.ac.jp (__at__ を @ に置き換えてください。)

論文と引用

このデータを利用した場合は、次の論文を引用してください。

Taiki Kawamura et al., "Compensated Ferrimagnets with Colossal Spin Splitting in Organic Compounds", Physical Review Letters 132(15), 156502 (2024). https://doi.org/10.1103/PhysRevLett.132.156502

BibTeX を表示

@article{Kawamura_2024, title={Compensated Ferrimagnets with Colossal Spin Splitting in Organic Compounds}, volume={132}, ISSN={1079-7114}, url={http://dx.doi.org/10.1103/physrevlett.132.156502}, DOI={10.1103/physrevlett.132.156502}, number={15}, journal={Physical Review Letters}, publisher={American Physical Society (APS)}, author={Kawamura, Taiki and Yoshimi, Kazuyoshi and Hashimoto, Kenichiro and Kobayashi, Akito and Misawa, Takahiro}, year={2024}, month=Apr }

書誌情報とオープンアクセスのリンクは OpenAlex、BibTeX は doi.org（出版社が登録した情報）から取得しています。

リンク

💻 リポジトリを開く 📦 ZIP でダウンロード

README

Dataset for Compensated ferrimagnets with colossal spin splitting in organic compounds

About

This dataset is associated with a study on exotic collinear antiferromagnets focusing on altermagnetism and compensated ferrimagnets that exhibit unique spin splittings in their electronic band structures. Altermagnets show anisotropic spin splitting, while compensated ferrimagnets have isotropic spin splitting. This research proposes the realization of such ferrimagnets in a new organic compound, (EDO-TTF-I)$_2$ClO$_4$, based on $ab$ $initio$ calculations. This repository includes the data including input and output data for ab initio calculations by Quantum ESPRESSO, downfolding by RESPACK, and the many-variable variational Monte Carlo method by mVMC.

License

CC BY 4.0

Folder structures

LICENSE
README.md
data
- QUANTUM-ESPRESSO
- RESPACK
- UHFr
- mVMC

Contact

k-yoshimi__at__issp.u-tokyo.ac.jp
tmisawa__at__issp.u-tokyo.ac.jp
akito__at__s.phys.nagoya-u.ac.jp

please replace __at__ by @.

出典: https://isspns-gitlab.issp.u-tokyo.ac.jp/k-yoshimi/edottf の README

更新状況

更新最終更新: 2024-05-02 (2 年前)