Magnetic Ordering, Anomalous Lifshitz Transition, and Topological Grain Boundaries in Two-Dimensional Biphenylene Network

被引:22
|
作者
Son, Young-Woo [2 ]
Jin, Hosub [3 ]
Kim, Sejoong [1 ]
机构
[1] Univ Sci & Technol UST, Daejeon 34113, South Korea
[2] Korea Inst Adv Study, Seoul 02455, South Korea
[3] Ulsan Natl Inst Sci & Technol, Dept Phys, Ulsan 44919, South Korea
关键词
biphenylene network; first-principles calculations; magnetic ordering; topological transition; grain boundaries; FERMI-SURFACE; FERROMAGNETISM;
D O I
10.1021/acs.nanolett.2c00528
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
We study the electronic properties of a new planar carbon crystal formed through networking biphenylene molecules. Novel electronic features among carbon materials such as zone-center saddle point and peculiar type-II Dirac fermionic states are shown to exist in the low-energy electronic spectrum. The type-II state here has a nearly flat branch and is close to a transition to type I. Possible magnetic instabilities related to low-energy bands are discussed. Furthermore, with a moderate uniaxial strain, a pair of Dirac points merge with the zone-center saddle point, realizing concurrent Lifshitz transitions of van Hove singularity as well as pair annihilation of the Dirac fermions. A new effective Hamiltonian encompassing all distinctive low-energy states is constructed, revealing a finite winding number of the pseudospin texture around the Dirac point, quantized Zak phases, and topological grain boundary states.
引用
收藏
页码:3112 / 3117
页数:6
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