Na2C monolayer: a novel 2p Dirac half-metal with multiple symmetry-protected Dirac cones

被引:42
作者
Ji, Wei-Xiao [1 ]
Zhang, Bao-Min [1 ]
Zhang, Shu-Feng [1 ]
Zhang, Chang-Wen [1 ]
Ding, Meng [1 ]
Wang, Pei-Ji [1 ]
Zhang, Ruiqin [2 ,3 ]
机构
[1] Univ Jinan, Sch Phys & Technol, Jinan 250022, Shandong, Peoples R China
[2] City Univ Hong Kong, Dept Phys, Hong Kong, Hong Kong, Peoples R China
[3] Beijing Computat Sci Res Ctr, Beijing 100193, Peoples R China
基金
中国国家自然科学基金;
关键词
TOTAL-ENERGY CALCULATIONS; ELECTRIDE; FERMION;
D O I
10.1039/c8nr02761g
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
A Dirac half-metal material, which has a gapped band structure in one spin channel but Dirac cones in the other, combines two intriguing properties of 100% spin polarization and massless Dirac fermions and has recently started to attract increasing attention. In this work, using first-principles calculations we predict that the disodium carbide (Na2C) monolayer is an intrinsic 2p Dirac half-metal material with 12 fully spin-polarized and symmetry-protected Dirac cones, and a slightly gapped (53 meV) spin-polarized nodal line coexisting in one spin channel, leaving the other spin channel insulated with a gap of 1.9 eV. There are two kinds of Dirac cones in Na2C, protected by different crystalline symmetries, both of which are robust against biaxial strains (+/- 5%) and spin-orbit coupling effects, with Fermi velocities of up to 5.2 x 10(5) m s(-1). Ferromagnetism is mainly contributed to by the unpaired 2p electrons in the carbon, with a Curie temperature estimated to be 382 K, and the origin of the 2p magnetism could be explained by the superexchange mechanism between C2- anions with the Na+ cation as a bridge. Our results not only indicate a promising candidate for high-speed spintronic devices, but also reveal the hidden mechanism of the origin of symmetric protection and ferromagnetic exchange interactions in a Dirac semi-metal, which would provide a feasible strategy for the design of Dirac materials.
引用
收藏
页码:13645 / 13651
页数:7
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