2018
DOI: 10.1103/physrevb.97.045131
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Nonsymmorphic-symmetry-protected hourglass Dirac loop, nodal line, and Dirac point in bulk and monolayer X3SiTe6 ( X = Ta, Nb)

Abstract: Nonsymmorphic space group symmetries can generate exotic band-crossings in topological metals and semimetals. Here, based on symmetry analysis and first-principles calculations, we reveal rich band-crossing features in the existing layered compounds Ta3SiTe6 and Nb3SiTe6, enabled by nonsymmorphic symmetries. We show that in the absence of spin-orbit coupling (SOC), these threedimensional (3D) bulk materials possess accidental Dirac loops and essential fourfold nodal lines.In the presence of SOC, there emerges … Show more

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Cited by 137 publications
(67 citation statements)
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“…On the other hand, similar to the parent compound NbSe2 [25], TaSi1/3Te2 [26] and other vdW TMDs [27], electrons are expected to be coherently hopping between NbSixTe2 layers, and forms 3D FSs and band structure dispersing along the kz direction [23]. Therefore, the electronic state without kz dispersing, as observed in our ARPES experiments here, is corresponding to the surface state.…”
Section: Pagesupporting
confidence: 64%
See 1 more Smart Citation
“…On the other hand, similar to the parent compound NbSe2 [25], TaSi1/3Te2 [26] and other vdW TMDs [27], electrons are expected to be coherently hopping between NbSixTe2 layers, and forms 3D FSs and band structure dispersing along the kz direction [23]. Therefore, the electronic state without kz dispersing, as observed in our ARPES experiments here, is corresponding to the surface state.…”
Section: Pagesupporting
confidence: 64%
“…The interlayer Te-Te distance is in the range of typical van der Waals type and atomically thin NbSi1/3Te2 flakes were successfully fabricated by micro-exfoliation [22], that demonstrates the capability as a monomer for nanoelectronics based on van der Waals heterostructure. Topological semimetal phases are proposed in both bulk and single-layered NbSi1/3Te2 by first principle calculations study [23]. As the Si intercalation level increasing, more Nb atoms are paired and form the a(b) type chains.…”
Section: Pagementioning
confidence: 99%
“…The formation mechanism of Dirac bands discussed in this work is intrinsically different from the band crossing induced by nonsymmorphic crystalline symmetry reported in previous works [26][27][28][29][30]. There two bands exchange the eigenvalues of a single nonsymmorphic operator, a glided plane or a screw axis, as they disperse from one high symmetry momentum to another high symmetry momentum.…”
contrasting
confidence: 65%
“…The symmetry conditions for stabilizing hourglass Dirac loops in 3D systems can be found in Ref. [18,45]. Third, the topological band features studied here are for the bulk states of a 2D system.…”
Section: Symmetry Analysis For Hourglass Weyl Loops In 2dmentioning
confidence: 91%