Heart and diamond Fermi arcs in Pd and Pt oxide topological Dirac semimetals

Abstract

Topological Dirac semimetals (DSMs) exhibit nodal points through which energy bands disperse linearly in three-dimensional (3D) momentum space, a 3D analogue of graphene. The first experimentally confirmed DSMs with a pair of Dirac points (DPs), Na${}_3$Bi and Cd${}_3$As${}_2$, show topological surface Fermi arc states and exotic magneto-transport properties, boosting the interest in the search for stable and nontoxic DSM materials. Here, based on the {\it ab-initio} band structure calculations we predict a family of palladium and platinum oxides as robust 3D DSMs. The novel topological properties of these compounds are distinct from all other previously reported DSMs, they are rendered by the multiple number of DPs in the compounds. We show that along three unit axes of the cubic lattice there exist three pairs of DPs, which are linked by Fermi arcs on the surface. The Fermi arcs display a Lifshitz transition from a heart- to a diamond-shape upon varying the chemical potential. Corresponding oxides are already available as high-quality single crystals, which is an excellent precondition for the verification of our prediction by photoemission and magneto-transport experiments. Our findings not only predict a number of much robust 3D DSM candidates but also extend DSMs to transition metal oxides, a versatile family of materials, which opens the door to investigate the interplay between DSMs and electronic correlations that is not possible in the previously discovered DSM materials.

18 pages, 3 figures and 2 tables

References in corpus (10)

• The electronic properties of graphene
• Weyl semimetal phase in non-centrosymmetric transition metal monophosphides
• Classification of stable three-dimensional Dirac semimetals with nontrivial topology
• Linear magnetoresistance caused by mobility fluctuations in the n-doped Cd3As2
• Classification of reflection symmetry protected topological semimetals and nodal superconductors
• Potential ring of Dirac nodes in a new polymorph of Ca${}_3$P${}_2$
• Topological semimetals with Riemann surface states
• Bulk crystal growth and electronic characterization of the 3D Dirac Semimetal Na3Bi
• Observation of the Adler-Bell-Jackiw chiral anomaly in a Weyl semimetal
• Stability of Multinode Dirac Semimetals against Strong Long-Range Correlations

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• Landau quantization of nearly degenerate bands, and full symmetry classification of avoided Landau-level crossings
• Crystalline topological Dirac semimetal phase in rutile structure ${\beta }^{\prime }$-PtO${}_2$
• Long-range Coulomb Interaction effects on Topological Phase Transitions between Semi-metals and Insulators
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• Electronic structure of ternary palladates and effect of hole doping: A valence band photoemission spectroscopic study
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• The linear Dirac spectrum and the Weyl states in the Drude-Sommerfeld topological model
• Cubic Dirac Semimetals: General Theory and Application to Rare-Earth Magnets