Chemistry of open-shell carbon-based pi-electron molecular materials and development into spin liquids

开壳层碳基π电子分子材料的化学及其自旋液体的发展

• 批准号: 21H01907
• 负责人: プラシデス コスマス
• 金额: $ 11.07万
• 依托单位: Osaka Metropolitan University (2022-2023)Osaka Prefecture University (2021)
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Scientific Research (B)
• 财政年份: 2021
• 资助国家: 日本
• 起止时间: 2021-04-01 至 2024-03-31
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/en/grant/KAKENHI-PROJECT-21H01907/
• 关键词: pi-electron systems; Molecular nanocarbons; spin liquids; superconductors; carbon-based; molecular materials; polyaromatics; fullerenes

The project targets the synthesis of new crystalline materials families whose building blocks are electronically-active π-electron unsaturated organic molecular anions of varying size, shape, and electronic structure. We have been employing the new chemistry we pioneered in recent years to control the positioning of the pi-electron open-shell building blocks in space and create geometrically-frustrated magnetic lattices, which can act as hosts of quantum spin liquids purely arising from carbon pi-electrons. These strongly-correlated Mott insulating phases are further manipulated chemically and physically to turn them into metals and superconductors. Chemical synthesis is combining with high-level theory and integrated with a range of state-of-the-art structural and magnetic measurement techniques to identify the new electronic states that arise. To-date, two key research achievements have been reached: (i) the demonstration of the sensitivity of the fragile magnetic states to small perturbations induced by the chemical dopants that lead to transitions to long-range-ordered magnetic states, and (ii) the incorporation of spherical units like C60 to afford hybrid systems, promising candidates of new metallic and superconducting states.

该项目的目标是合成新的晶体材料系列，其构建块是不同尺寸、形状和电子结构的电子活性π电子不饱和有机分子阴离子，我们一直在采用近年来开创的新化学方法来控制定位。空间中的π电子开壳结构单元，并创建几何受挫的强磁性晶格，这些晶格可以作为纯粹由碳π电子绝缘产生的量子自旋液体的主体。化学合成与高级理论相结合，并与一系列最先进的结构和磁性测量技术相结合，以识别出现的新电子态。迄今为止，已经取得了两项关键研究成果：（i）证明了脆弱磁态对化学掺杂剂引起的小扰动的敏感性，从而导致向长程有序磁态的转变，以及（ii）纳入像 C60 这样的球形单元可以提供混合系统，有望成为新金属和超导态的候选者。

项目成果

Evolution of the magnetic structure in overdoped antiferromagnetic La1-xCaxMnO3 (0.51 < x < 0.69) manganites: A neutron diffraction study

过掺杂反铁磁性 La1-xCaxMnO3 (0.51 < x < 0.69) 亚锰矿中磁性结构的演变：中子衍射研究

• DOI: 10.1103/physrevb.107.035110
• 发表时间: 2023
• 影响因子: 3.7
• 作者: Pissas M.;Stamopoulos D.;Arulraj A.;Prassides K.
• 通讯作者: Prassides K.

Ab initio structural investigation of C60/PAH co-adducts - new structures from powder diffraction data

C60/PAH 共加合物的从头算结构研究 - 来自粉末衍射数据的新结构

• 发表时间: 2022
• 作者: Akane Matsumoto; Kosmas Prassides
• 通讯作者: Kosmas Prassides

NCSR Demokritos(ギリシャ)

NCSR 德谟克里托斯（希腊）

Mixed valency in (Sm1-xCax)2.75C60

(Sm1-xCax)2.75C60 中的混合价

• 发表时间: 2022
• 作者: Naoya Yoshikane; Kosmas Prassides
• 通讯作者: Kosmas Prassides

Exploration of the Calcium-C60 Binary Phase Field

钙-C60二元相场的探索

• 发表时间: 2022
• 作者: Mizuki Suzuki; Kosmas Prassides
• 通讯作者: Kosmas Prassides