Weyl semimetal phase in non-centrosymmetric transition metal monophosphides

Abstract

Based on first principle calculations, we show that a family of nonmagnetic materials including TaAs, TaP, NbAs and NbP are Weyl semimetal (WSM) without inversion center. We find twelve pairs of Weyl points in the whole Brillouin zone (BZ) for each of them. In the absence of spin-orbit coupling (SOC), band inversions in mirror invariant planes lead to gapless nodal rings in the energy-momentum dispersion. The strong SOC in these materials then opens full gaps in the mirror planes, generating nonzero mirror Chern numbers and Weyl points off the mirror planes. The resulting surface state Fermi arc structures on both (001) and (100) surfaces are also obtained and show interesting shapes, pointing to fascinating playgrounds for future experimental studies.

Updated with k.p model analysis and a movie demonstrating distribution of nodal rings and Weyl points, 19 pages, 4 figures and 1 table

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• Weyl semimetals from noncentrosymmetric topological insulators
• Topological electronic structure and Weyl semimetal in the TlBiSe${}_2$ class of semiconductors
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• Surface states and finite size effects in triple-fold semimetals
• Chiral kinematic theory and converse vortical effects
• Intrinsic Topological Weyl Phase Transition Induced by a Magnetostructural Transformation in a Kagome Magnet
• Weak ${\mathbb{Z}}_2$ Supertopology
• Unveiling Novel Resonant Interband Contribution to Polarizability in three-dimensional systems
• Magnetic topological Weyl fermions in half-metallic In${}_2$CoSe${}_4$
• Design Principles for Topological Thermoelectrics
• Systematic study for two-dimensional $Z_2$ topological phase transitions at high-symmetry points in all layer groups
• Ab initio study on the possible magnetic topological semimetallic state in MnMg${}_2$O${}_4$}
• Nodal Line Topological Superfluid and Multiply Protected Majorana Fermi Arc in a Three-Dimensional Time-Reversal-Invariant Superfluid Model
• Triply degenerate nodal line and tunable contracted-drumhead surface state in a tight-binding model
• Fragment-orbital-dependent spin fluctuations in the single-component molecular conductor [Ni(dmdt)${}_2$]
• Essentially degenerate hidden nodal lines in two-dimensional magnetic layer groups
• Interband response in spin-orbit coupled nodal line semimetals
• Ferroelectrically Controlled Chirality Switching of Weyl Quasiparticles