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Register a new userQuadratic contact point semimetal: Theory and material realization
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Most electronic properties of metals are determined solely by the low-energy states around the Fermi level, and for topological metals/semimetals, these low-energy states become distinct because of their unusual energy dispersion and emergent pseudospin degree of freedom. Here, we propose a class of materials which are termed as quadratic contact point (QCP) semimetals. In these materials, the conduction and valence bands contact at isolated points in the Brillouin zone, around which the band dispersions are quadratic along all three directions. We show that in the absence/presence of spin-orbit coupling, there may exist triply/quadruply-degenerate QCPs that are protected by the crystalline symmetry. We construct effective models to characterize the low-energy fermions near these QCPs. Under strong magnetic field, unlike the usual 3D electron gas, there appear unconventional features in the Landau spectrum. The QCP semimetal phase is adjacent to a variety of topological phases. For example, by breaking symmetries via Zeeman field or lattice strain, it can be transformed into a Weyl semimetal with Weyl and double Weyl points, a Z2 topological insulator/metal, or a Dirac semimetal. Via first-principles calculations, we identify realistic materials Cu2Se and RhAs3 as candidates for QCP semimetals.
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This year, Liu textit{et al}. [Phys. Rev. B textbf{104}, L041405 (2021)] proposed a new class of topological phonons (TPs; i.e., one-nodal surface (NS) phonons), which provides an effective route for realizing one-NSs in phonon systems. In this work, based on first-principles calculations and symmetry analysis, we extended the types of NS phonons from one- to three-NS phonons. The existence of three-NS phonons (with NS states on the $k_{i}$ = $pi$ ($i$ = $x$, $y$, $z$) planes in the three-dimensional Brillouin zone (BZ)) is enforced by the combination of two-fold screw symmetry and time reversal symmetry. We screened all 230 space groups (SGs) and found nine candidate groups (with the SG numbers (Nos.) 19, 61, 62, 92, 96, 198, 205, 212, and 213) hosting three-NS phonons. Interestingly, with the help of first-principles calculations, we identified $P2_{1}$2$_{1}$2$_{1}$-type YCuS$_{2}$ (SG No. 19), $Pbca$-type NiAs$_{2}$ (SG No. 61), $Pnma$-type SrZrO$_{2}$ (SG No. 62), $P4_{1}$2$_{1}$2-type LiAlO$_{2}$ (SG No. 92), $P4_{3}$2$_{1}$2-type ZnP$_{2}$ (SG No. 96), $P2_{1}$3-type NiSbSe (SG No. 198), $Pabar{3}$-type As$_{2}$Pt (SG No. 205), $P4_{3}$32-type BaSi$_{2}$ (SG No. 212), and $P4_{1}$32-type CsBe$_{2}$F$_{5}$ (SG No. 213) as realistic materials hosting three-NS phonons. The results of our presented study enrich the class of NS states in phonon systems and provide concrete guidance for searching for three-NS phonons and singular Weyl point phonons in realistic materials.
Nodal loops in two-dimensional (2D) systems are typically vulnerable against spin-orbit coupling (SOC). Here, we explore 2D systems with a type of doubly degenerate nodal loops that are robust under SOC and feature an hourglass type dispersion. We present symmetry conditions for realizing such hourglass Weyl loops, which involve nonsymmorphic lattice symmetries. Depending on the symmetry, the loops may exhibit different patterns in the Brillouin zone. Based on first-principles calculations, we identify the monolayer GaTeI-family materials as a realistic material platform to realize such loops. These materials host a single hourglass Weyl loop circling around a high-symmetry point. Interestingly, there is also a spin-orbit Dirac point enabled by an additional screw axis. We show that the hourglass Weyl loop and the Dirac point are robust under a variety of applied strains. By breaking the screw axis, the Dirac point can be transformed into a second Weyl loop. Furthermore, by breaking the glide mirror, the hourglass Weyl loop and the spin-orbit Dirac point can both be transformed into a pair of spin-orbit Weyl points. Our work offers guidance and realistic material candidates for exploring fascinating physics of several novel 2D emergent fermions.
We propose a new concept of two-dimensional (2D) Dirac semiconductor which is characterized by the emergence of fourfold degenerate band crossings near the band edge and provide a generic approach to realize this novel semiconductor in the community of material science. Based on the first-principle calculations and symmetry analysis, we discover recently synthesised triple-layer (TL)-BiOS2 is such Dirac semiconductor that features Dirac cone at X/Y point, protected by nonsymmorphic symmetry. Due to sandwich-like structure, each Dirac fermion in TL-BiOS2 can be regarded as a combination of two Weyl fermions with opposite chiralities, degenerate in momentum-energy space but separated in real space. Such Dirac semiconductor carries layer-dependent helical spin textures that never been reported before. Moreover, novel topological phase transitions are flexibly achieved in TL-BiOS2: (i) an vertical electric field can drive it into Weyl semiconductor with switchable spin polarization direction, (ii) an extensive strain is able to generate ferroelectric polarization and actuate it into Weyl nodal ring around X point and into another type of four-fold degenerate point at Y point. Our work extends the Dirac fermion into semiconductor systems and provides a promising avenue to integrate spintronics and optoelectronics in topological materials.
Multiple mechanisms for extremely large magnetoresistance (XMR) found in many topologically nontrivial/trivial semimetals have been theoretically proposed, but experimentally it is unclear which mechanism is responsible in a particular sample. In this article, by the combination of band structure calculations, numerical simulations of magnetoresistance (MR), Hall resistivity and de Haas-van Alphen (dHvA) oscillation measurements, we studied the MR anisotropy of SiP$_{2}$ which is verified to be a topologically trivial, incomplete compensation semimetal. It was found that as magnetic field, $H$, is applied along the $a$ axis, the MR exhibits an unsaturated nearly linear $H$ dependence, which was argued to arise from incomplete carriers compensation. For the $H$ $parallel$ [101] orientation, an unsaturated nearly quadratic $H$ dependence of MR up to 5.88 $times$ 10$^{4}$$%$ (at 1.8 K, 31.2 T) and field-induced up-turn behavior in resistivity were observed, which was suggested due to the existence of hole open orbits extending along the $k_{x}$ direction. Good agreement of the experimental results with the simulations based on the calculated Fermi surface (FS) indicates that the topology of FS plays an important role in its MR.
The conventional k.p method fails to capture the full and essential physics of many symmetry enriched multiple nodal line structures in the three dimensional Brillouin zone. Here we present a new and systematical method to construct the effective lattice model of mirror symmetry protected three-dimensional multiple nodal line semimetals, when the spin-orbit interaction is ignored. For systems with a given pair of perpendicular nodal rings, we obtain all the effective lattice models and eleven inequivalent nodal line Fermi surfaces together with their related constraints. By means of first-principles calculations, we first propose a family of real materials, beta phase of ternary nitrides X2GeN2 (X = Ca; Sr; Ba), that support one kind of these novel Fermi surfaces. Therefore, our work deepens the understanding of the nodal line structures and promotes the experimental progress of topological nodal line semimetals.
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