arXiv subjects

Shengyuan A. Yang

Publications and source records attributed to Shengyuan A. Yang.

At least 199 records · Page 11Linked to original sources

arXiv2018

Nodal surface semimetals: Theory and material realization

We theoretically study the three-dimensional topological semimetals with nodal surfaces protected by crystalline symmetries. Different from the well-known nodal-point and nodal-line semimetals, in these materials, the conduction and valence bands cross on closed nodal surfaces in the Brillouin zone. We propose different classes of nodal surfaces, both in the absence and in the presence of spin-orbit coupling (SOC). In the absence of SOC, a class of nodal surfaces can be protected by spacetime inversion symmetry and sublattice symmetry and characterized by a $\mathbb{Z}_2$ index, while another class of nodal surfaces are guaranteed by a combination of nonsymmorphic two-fold screw-rotational symmetry and time-reversal symmetry. We show that the inclusion of SOC will destroy the former class of nodal surfaces but may preserve the latter provided that the inversion symmetry is broken. We further generalize the result to magnetically ordered systems and show that protected nodal surfaces can also exist in magnetic materials without and with SOC, given that certain magnetic group symmetry requirements are satisfied. Several concrete nodal-surface material examples are predicted via the first-principles calculations. The possibility of multi-nodal-surface materials is discussed.

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arXiv2018

Electrically tunable valley polarization in Weyl semimetals with tilted energy dispersion

Tunneling transport across the p-n-p junction of Weyl semimetal with tilted energy dispersion is investigated. We report that the electrons around different valleys experience opposite direction refractions at the barrier interface when the energy dispersion is tilted along one of the transverse directions. Chirality dependent refractions at the barrier interface polarize the Weyl fermions in angle-space according to their valley index. A real magnetic barrier configuration is used to select allowed transmission angles, which results in electrically controllable and switchable valley polarization. Our findings may pave the way for experimental investigation of valley polarization, as well as valleytronic and electron optic applications in Weyl semimetals.

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arXiv2018

Hybrid Nodal Loop Metal: Unconventional Magnetoresponse and Material Realization

A nodal loop is formed by band crossing along a one-dimensional closed manifold, with each point on the loop a linear nodal point in the transverse dimensions and can be classified as type-I or type-II depending on the band dispersion. Here, we propose a class of nodal loops composed of both type-I and type-II points, which are hence termed as hybrid nodal loops. Based on firstprinciples calculations, we predict the realization of such loops in the existing electride material Ca2As. For a hybrid loop, the Fermi surface consists of coexisting electron and hole pockets that touch at isolated points for an extended range of Fermi energies, without the need for fine-tuning. This leads to unconventional magnetic responses, including the zero-field magnetic breakdown and the momentum space Klein tunneling observable in the magnetic quantum oscillations, as well as the peculiar anisotropy in the cyclotron resonance.

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arXiv2018

Nonsymmorphic-symmetry-protected hourglass Dirac loop, nodal line, and Dirac point in bulk and monolayer $X_3$SiTe$_6$ ($X=$ Ta, Nb)

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 Ta$_3$SiTe$_6$ and Nb$_3$SiTe$_6$, enabled by nonsymmorphic symmetries. We show that in the absence of spin-orbit coupling (SOC), these three-dimensional (3D) bulk materials possess accidental Dirac loops and essential fourfold nodal lines. In the presence of SOC, there emerges an hourglass Dirac loop---a fourfold degenerate nodal loop, on which each point is a neck-point of an hourglass-type dispersion. We show that this interesting type of band-crossing is protected and dictated by the nonsymmorphic space group symmetries, and it gives rise to drumhead-like surface states. Furthermore, we also investigate these materials in the monolayer form. We show that these two-dimensional (2D) monolayers host nodal lines in the absence of SOC, and the nodal lines transform to essential spin-orbit Dirac points when SOC is included. Our work suggests a realistic material platform for exploring the fascinating physics associated with nonsymmorphic band-crossings in both 3D and 2D systems.

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arXiv2017

Valleytronics in merging Dirac cones: All-electric-controlled valley filter, valve and universal reversible logic gate

Despite much anticipation of valleytronics as a candidate to replace the ageing CMOS-based information processing, its progress is severely hindered by the lack of practical ways to manipulate valley polarization all-electrically in an electrostatic setting. Here we propose a class of all-electric-controlled valley filter, valve and logic gate based on the valley-contrasting transport in a merging Dirac cones system. The central mechanism of these devices lies on the pseudospin-assisted quantum tunneling which effectively quenches the transport of one valley when its pseudospin configuration mismatches that of a gate-controlled scattering region. The valley polarization can be abruptly switched into different states and remains stable over semi-infinite gate-voltage windows. Colossal tunneling valley-pseudo-magnetoresistance ratio of over 10,000\% can be achieved in a valley-valve setup. We further propose a valleytronic-based logic gate capable of covering all 16 types of two-input Boolean logics. Remarkably, the valley degree of freedom can be harnessed to resurrect logical-reversibility in two-input universal Boolean gate. The (2+1) polarization states -- two distinct valleys plus a null polarization -- re-establish one-to-one input-to-output mapping, a crucial requirement for logical-reversibility, and significantly reduce the complexity of reversible circuits due to the built-in nature of valley degree of freedom. Our results suggest that the synergy of valleytronics and digital logics may provide new paradigms for valleytronic-based information processing and reversible computing.

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arXiv2017

Two-dimensional Spin-Orbit Dirac Point in Monolayer HfGeTe

Dirac points in two-dimensional (2D) materials have been a fascinating subject of research, with graphene as the most prominent example. However, the Dirac points in existing 2D materials, including graphene, are vulnerable against spin-orbit coupling (SOC). Here, based on first-principles calculations and theoretical analysis, we propose a new family of stable 2D materials, the HfGeTe-family monolayers, which represent the first example to host so-called spin-orbit Dirac points (SDPs) close to the Fermi level. These Dirac points are special in that they are formed only under significant SOC, hence they are intrinsically robust against SOC. We show that the existence of a pair of SDPs are dictated by the nonsymmorphic space group symmetry of the system, which are very robust under various types of lattice strains. The energy, the dispersion, and the valley occupation around the Dirac points can be effectively tuned by strain. We construct a low-energy effective model to characterize the Dirac fermions around the SDPs. Furthermore, we find that the material is simultaneously a 2D $\mathbb{Z}_2$ topological metal, which possesses nontrivial $\mathbb{Z}_2$ invariant in the bulk and spin-helical edge states on the boundary. From the calculated exfoliation energies and mechanical properties, we show that these materials can be readily obtained in experiment from the existing bulk materials. Our result reveals HfGeTe-family monolayers as a promising platform for exploring spin-orbit Dirac fermions and novel topological phases in two-dimensions.

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arXiv2017

Tunable Half-metallic Magnetism in Atom-thin Holey Two-dimensional C$_2$N Monolayer

Exploring two-dimensional (2D) materials with magnetic ordering is a focus of current research. It remains a challenge to achieve tunable magnetism in a material of one-atom-thickness without introducing extrinsic magnetic atoms or defects. Here, based on first-principles calculations, we propose that tunable ferromagnetism can be realized in the recently synthesized holey 2D C$_2$N ($h$2D-C$_2$N) monolayer via purely electron doping that can be readily achieved by gating. We show that owing to the prominent van Hove singularity in the band structure, the material exhibits ferromagnetism even at a small doping level. Remarkably, over a wide doping range of 4$\times$10$^{13}$/cm$^2$ to 8$\times$10$^{13}$/cm$^2$, the system becomes half-metallic, with carriers fully spin-polarized. The estimated Curie temperature can be up to 320 K. Besides gating, we find that the magnetism can also be effectively tuned by lattice strain. Our result identifies $h$2D-C$_2$N as the first material with single-atom-thickness that can host gate-tunable room-temperature half-metallic magnetism, suggesting it as a promising platform to explore nanoscale magnetism and flexible spintronic devices.

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arXiv2017

Anomalous tunneling characteristic of Weyl semimetals with tilted energy dispersion

Weyl semimetal is a recently discovered state of quantum matter, which generally possesses tilted energy dispersion. Here, we investigate the electron tunneling through a Weyl semimetal p-n-p junction. The angular dependence of electron tunneling exhibits an anomalous profile such that perfect transmission angles are shifted along the direction of the tilt. Coupling of the tilted dispersion and electrical potential within the barrier region gives rise to a transverse momentum shift, which is analogous to the transverse Lorentz displacement induced by magnetic barriers.

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arXiv2017

Type-II nodal loops: theory and material realization

Nodal loop appears when two bands, typically one electron-like and one hole-like, are crossing each other linearly along a one-dimensional manifold in the reciprocal space. Here we propose a new type of nodal loop which emerges from crossing between two bands which are both electron-like (or hole-like) along certain direction. Close to any point on such loop (dubbed as a type-II nodal loop), the linear spectrum is strongly tilted and tipped over along one transverse direction, leading to marked differences in magnetic, optical, and transport responses compared with the conventional (type-I) nodal loops. We show that the compound K4P3 is an example that hosts a pair of type-II nodal loops close to the Fermi level. Each loop traverses the whole Brillouin zone, hence can only be annihilated in pair when symmetry is preserved. The symmetry and topological protections of the loops as well as the associated surface states are discussed.

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arXiv2017

Ferroelectricity and Antiferroelectricity in Elemental Group-V Monolayer Materials

Ferroelectricity is usually found in compound materials composed by different elements. Here, based on first-principles calculations, we reveal the first example of spontaneous electrical polarization and ferroelectricity in stable two-dimensional elemental materials: elemental Group-V (As, Sb, and Bi) monolayers. The polarization is due to the spontaneous lattice distortion with atomic layer buckling. Interestingly, for Bi monolayer, apart from the ferroelectric phase, we find that it can also host an antiferroelectric phase. The Curie temperatures of these elemental materials can be higher than room temperature, making them promising for realizing ultrathin ferroelectric devices of broad interest.

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arXiv2017

Hybrid Dirac Semimetal in CaAgBi Materials Family

Based on their formation mechanisms, Dirac points in three-dimensional systems can be classified as accidental or essential. The former can be further distinguished into type-I and type-II, depending on whether the Dirac cone spectrum is completely tipped over along certain direction. Here, we predict the coexistence of all three kinds of Dirac points in the low-energy band structure of CaAgBi-family materials with a stuffed Wurtzite structure. Two pairs of accidental Dirac points reside on the rotational axis, with one pair being type-I and the other pair type-II; while another essential Dirac point is pinned at the high symmetry point on the Brillouin zone boundary. Due to broken inversion symmetry, the band degeneracy around accidental Dirac points is completely lifted except along the rotational axis, which may enable the splitting of chiral carriers at a ballistic p-n junction with a double negative refraction effect. We clarify their symmetry protections, and find both the Dirac-cone and Fermi arc topological surface states.

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arXiv2017

Transverse Shift in Andreev Reflection

An incoming electron is reflected back as a hole at a normal-metal-superconductor interface, a process known as Andreev reflection. We predict that there exists a universal transverse shift in this process due to the effect of spin-orbit coupling in the normal metal. Particularly, using both the scattering approach and the argument of angular momentum conservation, we demonstrate that the shifts are pronounced for lightly-doped Weyl semimetals, and are opposite for incoming electrons with different chirality, generating a chirality-dependent Hall effect for the reflected holes. The predicted shift is not limited to Weyl systems, but exists for a general three-dimensional spin-orbit- coupled metal interfaced with a superconductor.

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arXiv2017

Three-dimensional Pentagon Carbon with a genesis of emergent fermions

Carbon, the basic building block of our universe, enjoys a vast number of allotropic structures. Owing to its bonding characteristic, most carbon allotropes possess the motif of hexagonal rings. Here, with first-principles calculations, we discover a new metastable three-dimensional carbon allotrope entirely composed of pentagon rings. The unique structure of this "Pentagon Carbon" leads to extraordinary electronic properties, making it a cornucopia of emergent topological fermions. Under lattice strain, Pentagon Carbon exhibits topological phase transitions, generating a series of novel quasiparticles, from isospin-1 triplet fermions, to triply-degenerate fermions, and further to concatenated Weyl-loop fermions. Its Landau level spectrum also exhibits distinct features, including a huge number of almost degenerate chiral Landau bands, implying pronounced magneto-transport signals. Our work not only discovers a remarkable carbon allotrope with highly rare structural motifs, it also reveals a fascinating hierarchical particle genesis with novel topological fermions beyond the Dirac and Weyl paradigm.

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arXiv2017

Circular Dichroism and Radial Hall Effects in Topological Materials

Under symmetry breaking, a three-dimensional nodal-line semimetal can turn into a topological insulator or Weyl semimetal, accompanied by the generation of momentum-space Berry curvature. We develop a theory that unifies their circular dichroism and highlights the roles of Berry curvature distribution and light incident direction. Nontrivially, these phases exhibit distinct dichroic optical absorption and radial Hall effects, with characteristic scalings with photon energy and electric field. Our findings offer a new diagnosis tool for examining topological phases of matter.

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arXiv2017

Artificial gravity field, astrophysical analogues, and topological phase transitions in strained topological semimetals

Effective gravity and gauge fields are emergent properties intrinsic for low-energy quasiparticles in topological semimetals. Here, taking two Dirac semimetals as examples, we demonstrate that applied lattice strain can generate warped spacetime, with fascinating analogues in astrophysics. Particularly, we study the possibility of simulating black-hole/white-hole event horizons and gravitational lensing effect. Furthermore, we discover strain-induced topological phase transitions, both in the bulk materials and in their thin films. Especially in thin films, the transition between the quantum spin Hall and the trivial insulating phases can be achieved by a small strain, naturally leading to the proposition of a novel piezo-topological transistor device. Possible experimental realizations and analogue of Hawking radiation effect are discussed. Our result bridges multiple disciplines, revealing topological semimetals as a unique table-top platform for exploring interesting phenomena in astrophysics and general relativity; it also suggests realistic materials and methods to achieve controlled topological phase transitions with great potential for device applications.

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arXiv2017

Hourglass Dirac Chain Metal in Rhenium Dioxide

Nonsymmorphic symmetries, which involve fractional lattice translations in crystalline materials, can generate exotic types of fermionic excitations that are robust against spin-orbit coupling. Here we report on a hourglass-type dispersion in the bulk of three-dimensional rhenium dioxide crystals, as dictated by its nonsymmorphic symmetries. Due to time reversal and inversion symmetries, each band has an additional two-fold degeneracy, making the neck crossing-point of the hourglass four-fold degenerate. Remarkably, close to the Fermi level, the neck crossing-point traces out a Dirac chain--a chain of connected four-fold-degenerate Dirac loops--in the momentum space. The symmetry protection, the transformation under symmetry-breaking, and the associated topological surface states of the hourglass Dirac chain are discussed.

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arXiv2017

Coexistence of four-band nodal rings and triply-degenerate nodal points in centrosymmetric metal diborides

Topological metals with protected band-crossing points have been attracting great interest. Here we report novel topological band features in a family of metal diboride materials. Using first- principles calculations, we show that these materials are metallic, and close to Fermi level, there appears coexistence of one pair of nodal rings and one pair of triply-degenerate nodal points (TNPs). The nodal ring here is distinct from the previously studied ones in that its formation requires four entangled bands, not just two as in previous cases, hence it is termed as a four-band nodal ring (FNR). Remarkably, we show that FNR features Dirac-cone-like surface states, in contrast to the usual drumhead surface states for two-band nodal rings. Due to the presence of inversion symmetry, the TNP here is also different from those discussed previously in inversion-asymmetric systems. Especially, when spin-orbit coupling is included, the TNP here transforms into a novel Dirac point that is close to the borderline between the type-I and type-II Dirac point categories. We discuss their respective symmetry protections, and construct effective models for their characterization. The large linear energy range (> 2 eV) in these materials should facilitate the experimental detection of the signatures of these nontrivial band crossings.

cond-mat.mes-hall↗

arXiv2017

$d$-Orbital Topological Insulator and Semimetal in Antifluorite Cu$_2$S Family: Contrasting Spin Helicities, Nodal Box, and Hybrid Surface States

We reveal a class of three-dimensional $d$-orbital topological materials in the antifluorite Cu$_2$S family. Derived from the unique properties of low-energy $t_{2g}$ states, their phases are solely determined by the sign of spin-orbit coupling (SOC): topological insulator for negative SOC, whereas topological semimetal for positive SOC; both having Dirac-cone surface states but with contrasting helicities. With broken inversion symmetry, the semimetal becomes one with a nodal box consisting of butterfly-shaped nodal lines that are robust against SOC. Further breaking the tetrahedral symmetry by strain leads to an ideal Weyl semimetal with four pairs of Weyl points. Interestingly, the Fermi arcs coexist with a surface Dirac cone on the (010) surface, as required by a $Z_2$-invariant.

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