Topological Semimetal features in the Multiferroic Hexagonal Manganites

Abstract

Using first-principles calculations we examine the band structures of ferromagnetic hexagonal manganites $\mathrm{YX}{\mathrm{O}}_3$ (X=V, Cr, Mn, Fe and Co) in the nonpolar nonsymmorphic $P{6}_3/mmc$ space group. For $\mathrm{YV}{\mathrm{O}}_3$ and $\mathrm{YCr}{\mathrm{O}}_3$ we find a band inversion near the Fermi energy that generates a nodal ring in the $k_z=0$ mirror plane. We perform a more detailed analysis for these compounds and predict the existence of the topological "drumhead" surface states. Finally, we briefly discuss the low-symmetry polar phases (space group $P{6}_{3}cm$) of these systems, and show they can undergo a $P{6}_3/mmc\to P{6}_{3}cm$ transition by condensation of soft $K_3$ and ${\Gamma }_2^{-}$ phonons. Based on our findings, stabilizing these compounds in the hexagonal phase could offer a promising platform for studying the interplay of topology and multiferroicity, and the coexistence of real-space and reciprocal-space topological protection in the same phase.

References in corpus (28)

• Maximally-localized generalized Wannier functions for composite energy bands
• Electronic Structure of Pyrochlore Iridates: From Topological Dirac Metal to Mott Insulator
• Discovery of a Weyl Fermion Semimetal and Topological Fermi Arcs
• WannierTools: An open-source software package for novel topological materials
• Discovery of a Three-dimensional Topological Dirac Semimetal, Na3Bi
• Experimental discovery of Weyl semimetal TaAs
• Three Dimensional Dirac Semimetal and Quantum Transports in Cd3As2
• Ultrahigh mobility and giant magnetoresistance in the Dirac semimetal Cd${}_3$As${}_2$
• Weyl semimetal phase in non-centrosymmetric transition metal monophosphides
• Phase transition between the quantum spin Hall and insulator phases in 3D: emergence of a topological gapless phase
• Topological nodal line semimetals with and without spin-orbital coupling
• Topological Nodal Line Semimetal and Dirac Semimetal State in Antiperovskite Cu${}_3$PdN
• Topological nodal-line fermions in ZrSiSe and ZrSiTe
• Observation of Topological Nodal Fermion Semimetal Phase in ZrSiS
• The ferroelectric transition in YMnO${}_3$ from first principles
• Topological Semimetals Predicted from First-principles Calculations
• Topological semi-metals with line nodes and drumhead surface states
• Magnetic and electric phase control in epitaxial EuTiO${}_3$ from first principles
• Drumhead Surface States and Topological Nodal-Line Fermions in TlTaSe2
• Universal scaling relation in high-temperature superconductors
• Topological Dirac Nodal Lines and Surface Charges in fcc Alkaline Earth Metals
• Magnetic structure of hexagonal YMnO3 and LuMnO3 from a microscopic point of view
• Structural, electronic, and magneto-optical properties of YVO${}_3$
• Topological Weyl and Node-Line Semimetals in Ferromagnetic Vanadium-Phosphorous-Oxide $\beta$-V${}_2$OPO${}_4$ Compound
• First Principles Study of Structural, Electronic and Magnetic Interplay in Ferroelectromagnetic Yttrium Manganite
• Nonsymmorphic cubic Dirac point and crossed nodal rings across the ferroelectric phase transition in LiOsO${}_3$
• Is hexagonal InMnO3 ferroelectric?
• Weyl Ferroelectric Semimetal

Cited by in corpus (5)

• High-throughput search for magnetic and topological order in transition metal oxides
• Epitaxy of hexagonal ABO${}_3$ quantum materials
• A comprehensive review on the ferroelectric orthochromates: Synthesis, property, and application
• Prediction of topological phases in metastable ferromagnetic MPX${}_3$ monolayers
• Spin-Phonon Coupling and Thermodynamic Behaviour in YCrO3 and LaCrO3: Inelastic Neutron Scattering and Lattice Dynamics