文献类型：期刊文献

英文题名：Various half-metallic nodal loops in organic Cr2N6C3 monolayers

作者：Bao, Hairui[1,2,3];Zhao, Bao[1,2,3,4];Xue, Yang[1,2,3,5];Huan, Hao[1,2,3];Gao, Guanyi[1,2,3];Liu, Xiaojuan[1,2,3];Yang, Zhongqin[1,2,3,6]

机构：[1]Fudan Univ, State Key Lab Surface Phys, Shanghai 200433, Peoples R China;[2]Fudan Univ, Key Lab Computat Phys Sci MOE, Shanghai 200433, Peoples R China;[3]Fudan Univ, Dept Phys, Shanghai 200433, Peoples R China;[4]Liaocheng Univ, Sch Phys Sci & Informat Technol, Shandong Key Lab Opt Commun Sci & Technol, Liaocheng 252059, Shandong, Peoples R China;[5]East China Univ Sci & Technol, Sch Sci, Shanghai 200237, Peoples R China;[6]Collaborat Innovat Ctr Adv Microstruct, Nanjing 210093, Peoples R China

年份：2021

卷号：13

期号：5

起止页码：3161

外文期刊名：NANOSCALE

收录：;EI(收录号：20210709932844);WOS:【SCI-EXPANDED(收录号:WOS:000617768200042)】；

基金：This work was supported by National Natural Science Foundation of China under grants no. 11574051, 11874117, 11604134, and 11904101. The calculations were performed at the High Performance Computational Center (HPCC) of the Department of Physics at Fudan University.

语种：英文

外文关键词：Calculations - Quantum theory - Spintronics - Honeycomb structures - Topology

摘要：Topological nodal-line semimetals, as a type of exotic quantum electronic state, have drawn considerable research interest recently. In this work, we propose a new two-dimensional covalent-organic Cr monolayer (ML) material, which has a combined honeycomb and effective Kagome lattice and has various half-metallic nodal loops (HMNLs). First-principles calculations show that the C ML is dynamically and thermally stable and has an out-of-plane ferromagnetic order. Remarkably, various nodal loops, including types I-III, are found coexisting in the material, all of which are rare half-metallic states. The obtained HMNLs, simultaneously possessing the merits of spintronics and semimetals, are robust against spin-orbit coupling and biaxial strain. A topological phase transition, characterized by loop-winding indexes, can be induced in the ML by applying uniaxial strain. Tight-binding model calculations show that the obtained HMNLs originate primarily from the band inversion between Cr d orbitals, accommodated on the honeycomb and Kagome sublattices, respectively. The various predicted HMNLs and topological behaviors mean that the Cr MLs have promisingly versatile applications in future low-power-consuming spintronics and electronics.