Dirac semimetal in
            <i>β</i>
            -CuI without surface Fermi arcs

Le, Congcong; Wu, Xianxin; Qin, Shengshan; Li, Yinxiang; Thomale, Ronny; Zhang, Fuchun; Hu, Jiangping

doi:10.1073/pnas.1803599115

Cited by 45 publications

(37 citation statements)

References 43 publications

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“…Calculations of this system ( Fig. 8(a), [35]) also reveal a second type-I BDP and an anti-crossing gap formed along this same axis approximately 1 eV below E F . This latter pair of crossings can be understood as a consequence of the mechanism shown in Fig.…”

Section: Universality Of Kz Mediated Band Inversionsmentioning

confidence: 67%

“…For example, a recent DFT study into the bulk band structure of β-CuI (D 3d ) demonstrated the presence of a parity inverted band gap formed at Γ, as well as a type-I BDP at the Fermi level, formed along the Γ-Z direction [35]. Calculations of this system ( Fig.…”

Section: Universality Of Kz Mediated Band Inversionsmentioning

confidence: 94%

“…kz-mediated topological phenomena outside of the TMD family. (a) Orbitally projected band structure calculation of β-CuI (D 3d ) adapted from[35]. (b) Band structure calculations of YPd2Sn (O h ) reprinted with permission from[36].…”

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confidence: 99%

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A general route to form topologically-protected surface and bulk Dirac fermions along high-symmetry lines

Clark¹,

Mazzola²,

Marković³

et al. 2019

Electron. Struct.

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The band inversions that generate the topologically non-trivial band gaps of topological insulators and the isolated Dirac touching points of three-dimensional Dirac semimetals generally arise from the crossings of electronic states derived from different orbital manifolds. Recently, the concept of single orbital-manifold band inversions occurring along high-symmetry lines has been demonstrated, stabilising multiple bulk and surface Dirac fermions. Here, we discuss the underlying ingredients necessary to achieve such phases, and discuss their existence within the family of transition metal dichalcogenides. We show how their three-dimensional band structures naturally produce only small kz projected band gaps, and demonstrate how these play a significant role in shaping the surface electronic structure of these materials. We demonstrate, through spin-and angle-resolved photoemission and density functional theory calculations, how the surface electronic structures of the group-X TMDs PtSe2 and PdTe2 are host to up to five distinct surface states, each with complex band dispersions and spin textures. Finally, we discuss how the origin of several recentlyrealised instances of topological phenomena in systems outside of the TMDs, including the iron-based superconductors, can be understood as a consequence of the same underlying mechanism driving kz-mediated band inversions in the TMDs.

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Section: Universality Of Kz Mediated Band Inversionsmentioning

confidence: 67%

Section: Universality Of Kz Mediated Band Inversionsmentioning

confidence: 94%

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A general route to form topologically-protected surface and bulk Dirac fermions along high-symmetry lines

Clark¹,

Mazzola²,

Marković³

et al. 2019

Electron. Struct.

View full text Add to dashboard Cite

show abstract

“…Band crossings with a nontrivial topological invariant, including Weyl, Dirac, and unconventional fermions, have been attracting enormous attention in condensed matter [1][2][3]. For Weyl and Dirac fermions [4][5][6][7][8][9][10][11][12][13][14][15][16][17][18][19], they were realized experimentally in topological semimetal materials and further classified into type-I and type-II classes [20]. Unconventional fermions, which contain three-, four-, six-, and eightfold degenerate points, have been exhaustively classified by space group symmetries in solid-state systems with spin-orbit coupling and time-reversal symmetry.…”

Section: Introductionmentioning

confidence: 99%

Ab initio study of quantized circular photogalvanic effect in chiral multifold semimetals

Zhang

Felser

et al. 2020

Phys. Rev. B

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So far, the circular photogalvanic effect (CPGE) is the only possible quantized signal in Weyl semimetals. With inversion and mirror symmetries broken, Weyl and multifold fermions in band structures with opposite chiralities can stay at different energies and generate a net topological charge. Such a kind of net topological charge can present as a quantized signal in the circular polarized light-induced injection current. According to current theoretical understanding, RhSi and its counterparts are believed to be the most promising candidates for the experimental observation of the quantized CPGE. However, a real quantized signal has yet to be experimentally observed. Since previous theoretical studies for the quantized CPGE were based on an effective model but not realistic band structures, it should lose some crucial details that influence the quantized signal. The current status motivates us to perform a realistic ab initio study for the CPGE. Our result shows that RhSi and PtAl in chiral multifold semimetals are alternative materials for obtaining the quantized CPGE which is very easy to be interfered with by trivial band-related optic transitions, and a fine tuning of the chemical potential by doping is essential for the observation of the quantized CPGE. We perform an ab initio analysis for the quantized CPGE based on a realistic electronic band structure and provide an effective way to solve the current problem for the given materials.

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“…As a result, 3D Dirac semimetals share topological features with Weyl semimetals, such as Fermi arcs 11 , 12 and chiral anomalies 13 , 14 . Moreover, 3D Dirac points can also exhibit exotic anomalous effects compared with Weyl points, such as spin-polarized surface states 15 , closed Fermi pockets 16 , 17 , and oscillating quantum spin Hall effect in quantum well structures 10 , 18 .…”

Section: Introductionmentioning

confidence: 99%

Dirac points and the transition towards Weyl points in three-dimensional sonic crystals

et al. 2020

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A four-fold-degenerate three-dimensional (3D) Dirac point, represents a degenerate pair of Weyl points carrying opposite chiralities. Moreover, 3D Dirac crystals have shown many exotic features different from those of Weyl crystals. How these features evolve from 3D Dirac to Weyl crystals is important in research on 3D topological matter. Here, we realized a pair of 3D acoustic Dirac points from band inversion in a hexagonal sonic crystal and observed the surface states and helical interface states connecting the Dirac points. Furthermore, each Dirac point can transition into a pair of Weyl points with the introduction of chiral hopping. The exotic features of the surface states and interface states are inherited by the resulting Weyl crystal. Our work may serve as an ideal platform for exploring exotic physical phenomena in 3D topological semimetals.

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Dirac semimetal in β -CuI without surface Fermi arcs

Cited by 45 publications

References 43 publications

A general route to form topologically-protected surface and bulk Dirac fermions along high-symmetry lines

A general route to form topologically-protected surface and bulk Dirac fermions along high-symmetry lines

Ab initio study of quantized circular photogalvanic effect in chiral multifold semimetals

Dirac points and the transition towards Weyl points in three-dimensional sonic crystals

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