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Register a new userFilling-enforced Magnetic Dirac Semimetals in Two Dimensions
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Filling-enforced Dirac semimetals, or those required at specific fillings by the combination of crystalline and time-reversal symmetries, have been proposed and discovered in numerous materials. However, Dirac points in these materials are not generally robust against breaking or modifying time-reversal symmetry. We present a new class of two-dimensional Dirac semimetal protected by the combination of crystal symmetries and a special, antiferromagnetic time-reversal symmetry. Systems in this class of magnetic layer groups, while having broken time-reversal symmetry, still respect the operation of time-reversal followed by a half-lattice translation. In contrast to 2D time-reversal-symmetric Dirac semimetal phases, this magnetic Dirac phase is capable of hosting just a single isolated Dirac point at the Fermi level, and that Dirac point can be stabilized solely by symmorphic crystal symmetries. We find that this Dirac point represents a new quantum critical point, and lives at the boundary between Chern insulating, antiferromagnetic topological crystalline insulating, and trivial insulating phases. We present density functional theoretic calculations which demonstrate the presence of this 2D magnetic Dirac semimetallic phase in FeSe monolayers and discuss the implications for engineering quantum phase transitions in these materials.
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Graphene is famous for being a host of 2D Dirac fermions. However, spin-orbit coupling introduces a small gap, so that graphene is formally a quantum spin hall insulator. Here we present symmetry-protected 2D Dirac semimetals, which feature Dirac cones at high-symmetry points that are emph{not} gapped by spin-orbit interactions, and exhibit behavior distinct from both graphene and 3D Dirac semimetals. Using a two-site tight-binding model, we construct representatives of three possible distinct Dirac semimetal phases, and show that single symmetry-protected Dirac points are impossible in two dimensions. An essential role is played by the presence of non-symmorphic space group symmetries. We argue that these symmetries tune the system to the boundary between a 2D topological and trivial insulator. By breaking the symmetries we are able to access trivial and topological insulators as well as Weyl semimetal phases.
We study the competition between Kondo screening and frustrated magnetism on the non-symmorphic Shastry-Sutherland Kondo lattice at a filling of two conduction electrons per unit cell. A previous analysis of this model identified a set of gapless partially Kondo screened phases intermediate between the Kondo-destroyed paramagnet and the heavy Fermi liquid. Based on crystal symmetries, we argue that (i)~both the paramagnet and the heavy Fermi liquid are {it semimetals} protected by a glide symmetry; and (ii)~partial Kondo screening breaks the symmetry, removing this protection and allowing the partially-Kondo-screened phase to be deformed into a Kondo insulator via a Lifshitz transition. We confirm these results using large-$N$ mean field theory and then use non-perturbative arguments to derive a generalized Luttinger sum rule constraining the phase structure of 2D non-symmorphic Kondo lattices beyond the mean-field limit.
Magnetism, coupled with nontrivial band topology, can bring about many interesting and exotic phenomena, so that magnetic topological materials have attracted persistent research interest. However, compared with non-magnetic topological materials (TMs), the magnetic TMs are less studied, since their magnetic structures and topological phase transitions are usually complex and the first-principles predictions are usually sensitive on the effect of Coulomb interaction. In this work, we present a comprehensive investigation of XFe4Ge2 (X = Y, Lu) and Mn3Pt, and find these materials to be filling-enforced magnetic topological metals. Our first-principles calculations show that XFe4Ge2 (X = Y, Lu) host Dirac points near the Fermi level at high symmetry point S. These Dirac points are protected by PT symmetry (P and T are inversion and time-reversal transformations, respectively) and a 2-fold screw rotation symmetry. Moreover, through breaking PT symmetry, the Dirac points would split into Weyl nodes. Mn3Pt is found to host 4-fold degenerate band crossings in the whole high symmetry path of A-Z. We also utilize the GGA+U scheme to take into account the effect of Coulomb repulsion and find that the filling-enforced topological properties are naturally insensitive on U.
We study a class of Dirac semimetals that feature an eightfold-degenerate double Dirac point. We show that 7 of the 230 space groups can host such Dirac points and argue that they all generically display linear dispersion. We introduce an explicit tight-binding model for space groups 130 and 135, showing that 135 can host an intrinsic double Dirac semimetal -- one with no additional degeneracies at the Fermi energy. We consider symmetry-lowering perturbations and show that uniaxial compressive strain in different directions leads to topologically distinct insulating phases. In addition, the double Dirac semimetal can accommodate topological line defects that bind helical modes. Potential materials realizations are discussed.
Two-dimensional Dirac semimetals have attracted much attention because of their linear energy dispersion and non-trivial Berry phase. Graphene-like 2D Dirac materials are gapless only within certain approximations, e.g., if spin-orbit coupling (SOC) is neglected. It has recently been reported that materials with nonsymmorphic crystal lattice possess symmetry-enforced Dirac-like band dispersion around certain high-symmetry momenta even in the presence of SOC. Here we calculate the optical absorption coefficient of nonsymmorphic semimetals, such as $alpha$-bismuthene, which hosts two anisotropic Dirac cones with different Fermi velocities along $x$ and $y$ directions.We find that the optical absorption coefficient depends strongly on the anisotropy factor and the photon polarization. When a magnetic field is applied perpendicular to the plane of the material, the absorption coefficient also depends on an internal parameter we termed the mixing angle of the band structure. We further find that an in-plane magnetic field, while leaving the system gapless, can induce a Van-Hove singularity in the joint density of states: this causes a significant enhancement of the optical absorption at the frequency of the singularity for one direction of polarization but not for the orthogonal one, making the optical properties even more strongly dependent on polarization. Due to the anisotropy present in our model, the Dirac cones at two high-symmetry momenta in the Brillouin zone contribute very differently to the optical absorbance. Consequently, it might be possible to preferentially populate one valley or the other by varying photon polarization and frequency. These results suggest that nonsymmorphic 2D Dirac semimetals are excellent candidate materials for tunable magneto-optic devices.
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