Multiple band-crossings and Fermi surface topology: role of double nonsymmorphic symmetries in MnP-type crystal structures

Abstract

We use relativistic ab-initio methods combined with model Hamiltonian approaches to analyze the normal-phase electronic and structural properties of the recently discovered WP superconductor. Remarkably, the outcomes of such study can be employed to set fundamental connections among WP and the CrAs and MnP superconductors belonging to the same space group. One of the key features of the resulting electronic structure is represented by the occurrence of multiple band crossings along specific high symmetry lines of the Brilloiun zone. In particular, we demonstrate that the eight-fold band degeneracy obtained along the SR path at (kx,ky)=(Pi,Pi) is due to inversion-time reversal invariance and a pair of nonsymmorphic symmetries. The presence of multiple degenerate Fermi points along the SR direction constraints the topology of the Fermi surface, which manifests distinctive marks when considering its evolution upon band filling variation. If the Fermi level crosses the bands along the SR line as it happens at the nominal filling of the MnP, these Fermi surfaces are open or closed Fermi pockets. Moving the relative position of the Fermi level away from the eight-fold degenerate bands as for the WP and CrAs compounds, the electronic changeover exhibits a simultaneous modification of the Fermi surface dimensionality and topology. Four two-dimensional (2D) Fermi surface sheets are centered around the SR line with a corrugated profile along the kz direction. Moreover, we show that the spin-orbit interaction determines a selective removal of the band degeneracy and, consequently, a splitting of the quasi 2D Fermi sheets, as it happens in WP. Finally, we comment on the connections between our results and recent experimental and theoretical proposals about the triplet superconductivity in this class of compounds.

arXiv comment18 pages, 18 figures, 2 table. Accepted in PRM

References in corpus (85)

• Topological Insulators
• Topological insulators and superconductors
• Quantum Spin Hall Insulator State in HgTe Quantum Wells
• Maximally-localized generalized Wannier functions for composite energy bands
• Weyl and Dirac Semimetals in Three Dimensional Solids
• Wannier90: A Tool for Obtaining Maximally-Localised Wannier Functions
• A topological Dirac insulator in a quantum spin Hall phase : Experimental observation of first strong topological insulator
• Classification of topological quantum matter with symmetries
• Type-II Weyl Semimetals
• Unconventional sign-reversing superconductivity in LaFeAsO_(1-x)F_x
• Maximally-localized Wannier functions for entangled energy bands
• Dirac semimetal in three dimensions
• Topological nodal semimetals
• Ultrahigh mobility and giant magnetoresistance in the Dirac semimetal Cd${}_3$As${}_2$
• Weyl semimetal phase in non-centrosymmetric transition metal monophosphides
• Beyond Dirac and Weyl fermions: Unconventional quasiparticles in conventional crystals
• Dirac materials
• Topological Crystalline Insulators and Topological Superconductors: From Concepts to Materials
• The space group classification of topological band insulators
• Three-Dimensional Topological Insulators
• Topological classification of crystalline insulators through band structure combinatorics
• Symmetry Protected Topological phases of Quantum Matter
• Nodal-chain metals
• Topology of crystalline insulators and superconductors
• High Temperature Superconductivity in Iron Pnictides and Chalcogenides
• Hourglass Fermions
• The Challenge of Unconventional Superconductivity
• Topological Semimetals Predicted from First-principles Calculations
• Topological semi-metals with line nodes and drumhead surface states
• Linear magnetoresistance caused by mobility fluctuations in the n-doped Cd3As2
• Powerlaw optical conductivity with a constant phase angle in high Tc superconductors
• Classification of topological insulators and superconductors in the presence of reflection symmetry
• Double Dirac Semimetals in Three Dimensions
• Classification of reflection symmetry protected topological semimetals and nodal superconductors
• Three-dimensional topological photonic crystal with a single surface Dirac cone
• Stability of Fermi Surfaces and K-Theory
• Topological classification with additional symmetries from Clifford algebras
• Large linear magnetoresistance in Dirac semi-metal Cd3As2 with Fermi surfaces close to the Dirac points
• Superconductivity in the vicinity of antiferromagnetic order in CrAs
• Chemical Principles of Topological Semimetals
• Pressure induced superconductivity on the border of magnetic order in MnP
• Topological surface states in nodal superconductors
• Topological Order and Absence of Band Insulators at Integer Filling in Non-Symmorphic Crystals
• Dimensional crossover in topological matter: Evolution of the multiple Dirac point in the layered system to the flat band on the surface
• Coordination and chemical effects on the structural, electronic and magnetic properties in Mn pnictides
• Unified theory of PT and CP invariant topological metals and nodal superconductors
• Tunable Weyl and Dirac states in the nonsymmorphic compound $\mathbf{CeSbTe}$
• Pairing of j=3/2 fermions in half-Heusler superconductors
• Filling-Enforced Gaplessness in Band Structures of the 230 Space Groups
• Nonsymmorphic symmetry-required band crossings in topological semimetals
• Spin-Orbit Semimetals in the Layer Groups
• Superconductivity of 2.2 K under Pressure in Helimagnet CrAs
• Spinless hourglass nodal-line semimetals
• Structurally driven metamagnetism in MnP and related Pnma compounds
• Role of local geometry in spin and orbital structure of transition metal compounds
• Detection of an Unconventional Superconducting Phase in the Vicinity of the Strong First-Order Magnetic Transition in CrAs Using ^75As-Nuclear Quadrupole Resonance
• Structural and Magnetic Phase Diagram of CrAs and its Relationship with Pressure-induced Superconductivity
• Pressure dependence of the magnetic ground states in MnP
• Quasilinear quantum magnetoresistance in pressure-induced nonsymmorphic superconductor CrAs
• Pressure dependence of the magnetic order in CrAs: a neutron diffraction investigation
• Maximizing Fermi surface multiplicity optimizes superconductivity in iron pnictides
• Topological Hourglass Dirac Semimetal in the Nonpolar Phase of Ag${}_2$BiO${}_3$
• Magnetic Anisotropy and Orbital Ordering in Ca${}_2$RuO${}_4$
• $Z_4$ Topological Superconductivity in UCoGe
• Magnetic Pitch as a Tuning Fork for Superconductivity
• Pressure-induced electronic phase separation of magnetism and superconductivity in CrAs
• Topological septet pairing with spin-$\frac{3}{2}$ fermions -- high partial-wave channel counterpart of the ${}^3$He-B phase
• Structural and electronic properties of Sr2RuO4-Sr3Ru2O7 heterostructure
• First principles study of structural, magnetic and electronic properties of CrAs
• Superconductivity in the WP single crystal
• Signatures of enhanced superconducting phase coherence through MID-IR excitation in optimally doped Y-Bi2212
• Field-induced Orbital Patterns in Ferromagnetic Layered Ruthenates
• Topological properties of multilayers and surface steps in the SnTe material class
• Spin-orbit coupling effects on the electronic properties of the pressure-induced superconductor CrAs
• Topological Gapless Phases in Non-Symmorphic Antiferromagnets
• Efficient method to compute ${\mathbb{Z}}_4$-indices with glide symmetry and applications to Möbius materials, $\mathrm{CeNiSn}$ and $\mathrm{UCoGe}$
• A minimal tight-binding model for the quasi-one-dimensional superconductor K2Cr3As3
• Nonsaturating large magnetoresistance in the high carrier density nonsymmorphic metal CrP
• Interface control of electronic transport across the magnetic phase transition in SrRuO_3/SrTiO_3 heterointerface
• Evidence for triplet superconductivity near an antiferromagnetic instability in CrAs
• Resistivity measurements unveil microscopic properties of CrAs
• Low energy bands and transport properties of chromium arsenide
• Spin-triplet superconductivity in the paramagnetic UCoGe under pressure studied by ${}^{59}$Co NMR
• Optimizing the tight-binding parametrization of the quasi-one-dimensional superconductor K2Cr3As3
• Two-dimensional Peierls instability via zone boundary Dirac line nodes in layered perovskite oxides

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