Ferromagnetic helical nodal line and Kane-Mele spin-orbit coupling in kagome metal Fe3Sn2

被引:17
|
作者
Fang, Shiang [1 ,2 ]
Ye, Linda [2 ,11 ]
Ghimire, Madhav Prasad [3 ,4 ]
Kang, Mingu [2 ,5 ]
Liu, Junwei [6 ]
Han, Minyong [2 ]
Fu, Liang [2 ]
Richter, Manuel [4 ,7 ]
van den Brink, Jeroen [4 ,8 ]
Kaxiras, Efthimios [9 ,10 ]
Comin, Riccardo [2 ]
Checkelsky, Joseph G. [2 ]
机构
[1] Rutgers State Univ, Ctr Mat Theory, Dept Phys & Astron, Piscataway, NJ 08854 USA
[2] MIT, Dept Phys, Cambridge, MA 02139 USA
[3] Tribhuvan Univ, Cent Dept Phys, Kathmandu 44613, Nepal
[4] IFW Dresden, Leibniz Inst Solid State & Mat Res, Helmholtzstr 20, D-01069 Dresden, Germany
[5] Max Planck POSTECH Korea Res Initiat, Ctr Complex Phase Mat, Pohang 37673, South Korea
[6] Hong Kong Univ Sci & Technol, Dept Phys, Clear Water Bay, Hong Kong, Peoples R China
[7] Tech Univ Dresden, Dresden Ctr Computat Mat Sci DCMS, D-01062 Dresden, Germany
[8] Tech Univ Dresden, Wurzburg Dresden Cluster Excellence Ct Qmat, D-01062 Dresden, Germany
[9] Harvard Univ, Dept Phys, Cambridge, MA 02138 USA
[10] Harvard Univ, John A Paulson Sch Engn & Appl Sci, Cambridge, MA 02138 USA
[11] Stanford Univ, Dept Appl Phys, Stanford, CA 94305 USA
基金
新加坡国家研究基金会;
关键词
TOTAL-ENERGY CALCULATIONS; ELECTRONIC-PROPERTIES; BAND-STRUCTURE; BERRYS PHASE;
D O I
10.1103/PhysRevB.105.035107
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
The two-dimensional kagome lattice hosts Dirac fermions at its Brillouin zone corners K and K', analogous to the honeycomb lattice. In the density functional theory electronic structure of ferromagnetic kagome metal Fe3Sn2, without spin-orbit coupling, we identify two energetically split helical nodal lines winding along z in the vicinity of K and K' resulting from the trigonal stacking of the kagome layers. We find that hopping across A-A stacking introduces a layer splitting in energy while that across A-B stacking controls the momentum space amplitude of the helical nodal lines. We identify the latter to be one order of magnitude weaker than the former owing to the underlying d-orbital degrees of freedom. The effect of spin-orbit coupling is found to resemble that of a Kane-Mele term, where the nodal lines can either be fully gapped to quasi-two-dimensional massive Dirac fermions, or remain gapless at discrete Weyl points depending on the ferromagnetic moment orientation. Aside from numerically establishing Fe3Sn2 as a model Dirac kagome metal by clarifying the roles played by interplane coupling, our results provide insights into materials design of topological phases from the lattice point of view, where paradigmatic low dimensional lattice models often find realizations in crystalline materials with three-dimensional stacking.
引用
收藏
页数:11
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