Cui Zhiqiang, Luo Ying, Shi Lei, Chen Yue, Zhang Yunwei
School of Physics, Sun Yat-sen University, 510275 Guangzhou, People's Republic of China.
Department of Mechanical Engineering, The University of Hong Kong, Pokfulam Road, Hong Kong Special Administrative Region of China, People's Republic of China.
J Phys Condens Matter. 2024 Aug 2;36(44). doi: 10.1088/1361-648X/ad21a6.
Discovery of superconductivity in electride materials has been a topic of interest as their intrinsic electron-rich properties might suggest a considerable electron-phonon interaction. LayeredY2Cis a ferromagnetic quasi-two-dimensional electride with polarized anionic electrons confined in the interlayer space. In this theoretical study, we reportY2Cundergoes a series of structural phase transitions into two superconducting phases with estimatedTcof 9.2 and 21.0 K at 19 and 80 GPa, respectively, via the suppression of magnetism. Our extensive first-principles swarm structure searches identify that these two high-pressure superconducting phases possess an orthorhombicand a tetragonal4structures, respectively, where thephase is found to be a one-dimensional electride characterized by electron confinements in channel spaces of the crystal lattice, while the electride property in4phase has been completely destroyed. We attribute the development of an unprecedentedly highTcsuperconductivity in Y-C system to the destructions of magnetism and the delocalization of interlayered anionic electrons under pressures. This work provides a unique example of pressure-induced collapse of magnetism at the onset of superconductivity in electride materials, along with the dramatic changes of electron-confinement topology in crystal lattices.
在电子化合物材料中发现超导性一直是一个备受关注的话题,因为其固有的富电子特性可能意味着存在相当大的电子 - 声子相互作用。层状Y₂C是一种铁磁准二维电子化合物,极化的阴离子电子被限制在层间空间。在这项理论研究中,我们报告Y₂C通过抑制磁性经历了一系列结构相变,分别在19和80 GPa下转变为两个超导相,估计的Tc分别为9.2 K和21.0 K。我们广泛的第一性原理群结构搜索确定这两个高压超导相分别具有正交结构和四方结构,其中相被发现是一种一维电子化合物,其特征是电子被限制在晶格的通道空间中,而相中电子化合物的性质已被完全破坏。我们将Y - C系统中前所未有的高温超导性的发展归因于压力下磁性的破坏和层间阴离子电子的离域化。这项工作提供了一个独特的例子,即在电子化合物材料中,超导性开始时压力诱导的磁性崩溃,以及晶格中电子限制拓扑结构的剧烈变化。