Correlation stabilized ferromagnetic MnRuAs with distorted kagome lattice

Abstract

We present an in-depth analysis of MnRuAs, a compound crystallizing in the P$\bar{6}$2m symmetry with a distorted kagome lattice, revealing its distinctive structural, magnetic, and electronic properties through state-of-the-art ab initio calculations. By incorporating strong correlation effects using the DFT+U approach, we demonstrate the stabilization of MnRuAs, transforming its inherent dynamical instability into a robust ferromagnetic state with significant coupling along the $c$ axis. The calculated magnon dispersion reveals a parabolic profile with a minimum at the $\Gamma$ point, indicative of ferromagnetic behavior. Furthermore, MnRuAs exhibits intriguing electronic properties, including quasi-one-dimensional Fermi surface and the formation of nodal sphere. Our study also delves into the electronic surface states and constant energy contours, offering valuable insights into the complex physics of this material.

14 pages, 8 figures + supplement: 6 pages and 9 figures

References in corpus (67)

• Wannier90: A Tool for Obtaining Maximally-Localised Wannier Functions
• A linear response approach to the calculation of the effective interaction parameters in the LDA+U method
• Maximally localized Wannier functions: Theory and applications
• WannierTools: An open-source software package for novel topological materials
• Maximally-localized Wannier functions for entangled energy bands
• Wannier90 as a community code: new features and applications
• Giant anomalous Hall effect in a ferromagnetic Kagome-lattice semimetal
• Implementation strategies in phonopy and phono3py
• Prediction and observation of the first antiferromagnetic topological insulator
• CsV${}_3$Sb${}_5$: a ${\mathbb{Z}}_2$ topological kagome metal with a superconducting ground state
• Massive Dirac fermions in a ferromagnetic kagome metal
• Magnetic Weyl Semimetal Phase in a Kagome Crystal
• Topological Nodal Line Semimetal and Dirac Semimetal State in Antiperovskite Cu${}_3$PdN
• Dirac fermions and flat bands in the ideal kagome metal FeSn
• Fermi-arc diversity on surface terminations of the magnetic Weyl semimetal Co3Sn2S2
• Large intrinsic anomalous Hall effect in half-metallic ferromagnet Co3Sn2S2 with magnetic Weyl fermions
• Discovery of a quantum limit Chern magnet TbMn6Sn6
• Topological kagome magnets and superconductors
• Superconductivity and spin-orbit coupling in non-centrosymmetric materials: a review
• Negative flat band magnetism in a spin-orbit coupled correlated kagome magnet
• Three-dimensional charge density wave and robust zero-bias conductance peak inside the superconducting vortex core of a kagome superconductor CsV${}_3$Sb${}_5$
• FermiSurfer: Fermi-surface viewer providing multiple representation schemes
• Giant and anisotropic many-body spin-orbit tunability in a strongly correlated kagome magnet
• TB2J: a python package for computing magnetic interaction parameters
• Observation of Unconventional Charge Density Wave without Acoustic Phonon Anomaly in Kagome Superconductors AV3Sb5 (A=Rb,Cs)
• Novel magnetic states and nematic spin chirality in the kagome lattice metal YMn${}_6$Sn${}_6$
• Variety of magnetic topological phases in the (MnBi${}_2$Te${}_4$)(Bi${}_2$Te${}_3$)${}_m$ family
• Charge density wave in kagome lattice intermetallic ScV6Sn6
• Intertwined magnetism and charge density wave order in kagome FeGe
• Rare earth engineering in RMn${}_6$Sn${}_6$ topological kagome magnets
• Anomalous Hall effect of ferromagnetic Fe3Sn2 single crystal with geometrically frustrated kagome lattice
• Tunability of the topological nodal-line semimetal phase in ZrSiX-type materials
• Electronic correlations and flattened band in magnetic Weyl semimetal candidate Co3Sn2S2
• High-throughput determination of Hubbard U and Hund J values for transition metal oxides via linear response formalism
• Tunable Topological Dirac Surface States and Van Hove Singularities in Kagome Metal GdV${}_6$Sn${}_6$
• Electronic structure of quasi-one-dimensional superconductor K${}_2$Cr${}_3$As${}_3$ from first-principles calculations
• Triplet $p_z$-wave pairing in quasi one dimensional A${}_2$Cr${}_3$As${}_3$ superconductors
• Topological Quantum Materials with Kagome Lattice
• Competing charge-density wave instabilities in the kagome metal ScV${}_6$Sn${}_6$
• Exchange-biased topological transverse thermoelectric effects in a Kagome ferrimagnet
• Experimental Observation of Dirac Nodal Links in Centrosymmetric Semimetal TiB${}_2$
• A new class of bilayer kagome lattice compounds with Dirac nodal lines and pressure-induced superconductivity
• Enhanced Spin-polarization via Partial Ge1-dimerization as the Driving Force of the 2$\times$2$\times$2 CDW in FeGe
• Chiral phonons in honeycomb sublattice of layered CoSn-like compounds
• Anisotropic magnon damping by zero-temperature quantum fluctuations in ferromagnetic CrGeTe${}_3$
• Coexistence of nontrivial topological properties and strong ferromagnetic fluctuations in $A_2$Cr${}_3$As${}_3$ ($A$=Na, K, Rb and Cs)
• Structures and physical properties of V-based kagome metals CsV${}_6$Sb${}_6$ and CsV${}_8$Sb${}_{12}$
• Discovery of two families of VSb-based compounds with V-kagome lattice
• Topological Hall effect induced by chiral fluctuations in ErMn6Sn6
• Dynamical properties of magnetic topological insulator $T$Bi${}_2$Te${}_4$ ($T=$Mn, Fe): phonons dispersion, Raman active modes, and chiral phonons study
• Hidden spin liquid in an antiferromagnet: Applications to FeCrAs
• Superconducting properties of the non-centrosymmetric Superconductors TaXSi (X= Re, Ru)
• Visualizing symmetry-breaking electronic orders in epitaxial Kagome magnet FeSn films
• Electronic band structure and surface states in Dirac semimetal LaAgSb${}_2$
• Evidence of fully-gapped superconductivity in NbReSi: A combined $\mu$SR and NMR study
• Tuning the topological character of half-Heusler systems: A comparative study on Y$T$Bi ($T$ = Pd, Pt)
• CrRhAs: a member of a large family of metallic kagome antiferromagnets
• Superconductivity in noncentrosymmetric NbReSi investigated by muon spin rotation and relaxation
• Chemical Rules for Stacked Kagome and Honeycomb Topological Semimetals
• Spin reorientation in FeCrAs revealed by single-crystal neutron diffraction
• Phononic drumhead surface state in distorted kagome compound RhPb
• Theoretical study of dynamical and electronic properties of noncentrosymmetric superconductor NbReSi
• Gapless spin-excitations in the superconducting state of a quasi-one-dimensional spin-triplet superconductor
• Electronic Correlation Effects on Stabilizing a Perfect Kagome Lattice and Ferromagnetic Fluctuation in LaRu${}_3$Si${}_2$
• Pressure Engineering of the Dirac Fermions in Quasi-One-Dimensional Tl${}_2$Mo${}_6$Se${}_6$
• Magnons and fundamental magnetic interactions in a ferromagnetic monolayer: The case of Ni monolayer
• Lattice dynamics study of electron-correlation-induced charge density wave in antiferromagnetic kagome metal FeGe

Cited by in corpus (1)

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