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Register a new userType-II Dirac line node in strained Na3N
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Dirac line node (DLN) semimetals are a class of topological semimetals that feature band-crossing lines in momentum space. We study the type-I and type-II classification of DLN semimetals by developing a criterion that determines the type using band velocities. Using first-principles calculations, we also predict that Na3N under an epitaxial tensile strain realizes a type-II DLN semimetal with vanishing spin-orbit coupling (SOC), characterized by the Berry phase that is Z2-quantized in the presence of inversion and time-reversal symmetries. The surface energy spectrum is calculated to demonstrate the topological phase, and the type-II nature is demonstrated by calculating the band velocities. We also develop a tight-binding model and a low-energy effective Hamiltonian that describe the low-energy electronic structure of strained Na3N. The occurrence of a DLN in Na3N under strain is captured in the optical conductivity, which we propose as a means to experimentally confirm the type-II class of the DLN semimetal.
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Topological semimetals recently stimulate intense research activities. Combining first-principles calculations and effective model analysis, we predict that CaTe is topological node-line semimetal when spin-orbit coupling (SOC) is ignored. We also obtain the nearly flat surface state which has the drumhead characteristic. When SOC is included, three node lines evolve into a pair of Dirac points along the $M-R$ line. These Dirac points are robust and protected by $C_{4}$ rotation symmetry. Once this crystal symmetry is broken, the Dirac points will be eliminated, and the system becomes a strong topological insulator.
We have performed angle-resolved photoemission spectroscopy on HfSiS, which has been predicted to be a topological line-node semimetal with square Si lattice. We found a quasi-two-dimensional Fermi surface hosting bulk nodal lines, alongside the surface states at the Brillouin-zone corner exhibiting a sizable Rashba splitting and band-mass renormalization due to many-body interactions. Most notably, we discovered an unexpected Dirac-like dispersion extending one-dimensionally in k space - the Dirac-node arc - near the bulk node at the zone diagonal. These novel Dirac states reside on the surface and could be related to hybridizations of bulk states, but currently we have no explanation for its origin. This discovery poses an intriguing challenge to the theoretical understanding of topological line-node semimetals.
Topological semimetals have attracted extensive research interests for realizing condensed matter physics counterparts of three-dimensional Dirac and Weyl fermions, which were originally introduced in high energy physics. Recently it has been proposed that type-II Dirac semimetal can host a new type of Dirac fermions which break Lorentz invariance and therefore does not have counterpart in high energy physics. Here we report the electronic structure of high quality PtSe$_2$ crystals to provide direct evidence for the existence of three-dimensional type-II Dirac fermions. A comparison of the crystal, vibrational and electronic structure to a sister compound PtTe$_2$ is also discussed. Our work provides an important platform for exploring the novel quantum phenomena in the PtSe$_2$ class of type-II Dirac semimetals.
The study of electronic properties in topological systems is one of the most fascinating topics in condensed matter physics, which has generated enormous interests in recent times. New materials are frequently being proposed and investigated to identify their non-trivial band structure. While sophisticated techniques such as angle-resolved photoemission spectroscopy have become popular to map the energy-momentum relation, the transport experiments lack any direct confirmation of Dirac and Weyl fermions in a system. From band structure calculations, VAl$_{3}$ has been proposed to be a type II topological Dirac semimetal. This material represents a large family of isostructural compounds, all having similar electronic band structure and is an ideal system to explore the rich physics of Lorentz symmetry violating Dirac fermions. In this work, we present a detailed analysis on the magnetotransport properties of VAl$_{3}$. A large, non-saturating magnetoresistance has been observed. Hall resistivity reveals the presence of two types of charge carriers with high mobility. Our measurements show a large planar Hall effect in this material, which is robust and can be easily detectable up to high temperature. This phenomenon originates from the relativistic chiral anomaly and non-trivial Berry curvature, which validates the theoretical prediction of the Dirac semimetal phase in VAl$_{3}$.
The phase transition between type-I and type-II Dirac semimetals will reveal a series of significant physical properties because of their completely distinct electronic, optical and magnetic properties. However, no mechanism and materials have been proposed to realize the transition to date. Here, we propose that the transition can be realized in two-dimensional (2D) materials consisting of zigzag chains, by tuning external strains. The origination of the transition is that some orbital interactions in zigzag chains vary drastically with structural deformation, which changes dispersions of the corresponding bands. Two 2D nanosheets, monolayer PN and AsN, are searched out to confirm the mechanism by using first-principles calculations. They are intrinsic type-I or type-II Dirac materials, and transit to another type of Dirac materials by external strains. In addition, a possible routine is proposed to synthesize the new 2D structures.
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