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Register a new userTuning the flat bands of the kagome metal CoSn with Fe, In, or Ni doping
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CoSn is a Pauli paramagnet with relatively flat d-bands centered about 100 meV below the Fermi energy Ef. Single crystals of CoSn lightly doped with Fe, In, or Ni are investigated using x-ray and neutron scattering, magnetic susceptibility and magnetization, ac susceptibility, specific heat and resistivity measurements. Within the rigid band approximation, hole doping with a few percent of Fe or In should move the flat bands closer to Ef, whereas electron doping with Ni should move the flat bands further away from Ef. We provide evidence that this indeed occurs. Fe and In doping drive CoSn toward magnetism, while Ni doping suppresses CoSns already weak magnetic response. The resulting ground state is different for Fe versus In doping. For Fe-doped crystals, Co1-xFexSn, with 0.02 < x < 0.27, the magnetic and specific heat data are consistent with the formation of a spin glass, with a glass transition temperature, Tg, ranging from 1 K for x=0.02 to 10 K for x= 0.27. Powder and single crystal neutron diffraction found no evidence of long-range magnetic order below Tg with x = 0.17. For In-doped crystals, CoSn1-yIny, both the magnetic susceptibility and the Sommerfeld coefficient, gamma, increase substantially relative to pure CoSn, but with no clear indication of a magnetic transition for 0.05 < y < 0.2. CoSn crystals doped with Ni (Co0.93Ni0.07Sn) have a significantly smaller magnetic susceptibility and gamma than pure CoSn, consistent with the flat bands further from Ef.
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Quantum interference on the kagome lattice generates electronic bands with narrow bandwidth, called flat bands. Crystal structures incorporating this lattice can host strong electron correlations with non-standard ingredients, but only if these bands lie at the Fermi level. In the six compounds with the CoSn structure type (FeGe, FeSn, CoSn, NiIn, RhPb, and PtTl) the transition metals form a kagome lattice. The two iron variants are robust antiferromagnets so we focus on the latter four and investigate their thermodynamic and transport properties. We consider these results and calculated band structures to locate and characterize the flat bands in these materials. We propose that CoSn and RhPb deserve the communitys attention for exploring flat band physics.
Hexagonal CoSn is a newly-discovered frustrated kagome metal. It shows close-to-textbook flat bands and orbital-selective Dirac fermions, which are largely associated with its strongly correlated Co-3$d$ orbitals. Because correlated electronic states are easily regulated by external conditions (such as chemical doping, pressure, and temperature), the fate of these kagome-derived electronic bands upon temperature becomes an interesting and unsolved question. In this work, we try to study the temperature-dependent electronic structures of hexagonal CoSn by means of the density functional theory in conjunction with the embedded dynamical mean-field theory. We find that hexagonal CoSn is in close proximity to a Mott insulating state at ambient condition. Special attention is devoted to the evolution of its Co-3$d$ electronic states with respect to temperature. At least six different temperatures (or energy scales), namely $T^{*}$, $T_{text{FL}}$, $T_{text{S1}}$ (and $T_{text{S2}}$), $T_{text{SF}}$, and $bar{T}$, are figured out. They are related to stabilization of the pseudogap state, emergence of the non-Fermi-liquid phase, onset (and completeness) of the intermediate spin state, occurrence of the spin-frozen phase, beginning of the orbital freezing transition, respectively.
Layered kagome-lattice 3d transition metals are emerging as an exciting platform to explore the frustrated lattice geometry and quantum topology. However, the typical kagome electronic bands, characterized by sets of the Dirac-like band capped by a phase-destructive flat band, have not been clearly observed, and their orbital physics are even less well investigated. Here, we present close-to-textbook kagome bands with orbital differentiation physics in CoSn, which can be well described by a minimal tight-binding model with single-orbital hopping in Co kagome lattice. The capping flat bands with bandwidth less than 0.2 eV run through the whole Brillouin zone, especially the bandwidth of the flat band of out-of-plane orbitals is less than 0.02 eV along G-M. The energy gap induced by spin-orbit interaction at the Dirac cone of out-of-plane orbitals is much smaller than that of in-plane orbitals, suggesting orbital-selective character of the Dirac fermions.
The kagome lattice based on 3d transition metals is a versatile platform for novel topological phases hosting symmetry-protected electronic excitations and exotic magnetic ground states. However, the paradigmatic states of the idealized two-dimensional (2D) kagome lattice - Dirac fermions and topological flat bands - have not been simultaneously observed, partly owing to the complex stacking structure of the kagome compounds studied to date. Here, we take the approach of examining FeSn, an antiferromagnetic single-layer kagome metal with spatially-decoupled kagome planes. Using polarization- and termination-dependent angle-resolved photoemission spectroscopy (ARPES), we detect the momentum-space signatures of coexisting flat bands and Dirac fermions in the vicinity of the Fermi energy. Intriguingly, when complemented with bulk-sensitive de Haas-van Alphen (dHvA) measurements, our data reveal an even richer electronic structure that exhibits robust surface Dirac fermions on specific crystalline terminations. Through band structure calculations and matrix element simulations, we demonstrate that the bulk Dirac bands arise from in-plane localized Fe-3d orbitals under kagome symmetry, while the surface state realizes a rare example of fully spin-polarized 2D Dirac fermions when combined with spin-layer locking in FeSn. These results highlight FeSn as a prototypical host for the emergent excitations of the kagome lattice. The prospect to harness these excitations for novel topological phases and spintronic devices is a frontier of great promise at the confluence of topology, magnetism, and strongly-correlated electron physics.
We have studied the body-centered cubic (bcc), face-centered cubic (fcc) and hexagonal close-packed (hcp) phases of Fe alloyed with 25 at. % of Ni at Earths core conditions using an ab initio local density approximation + dynamical mean-field theory (LDA+DMFT) approach. The alloys have been modeled by ordered crystal structures based on the bcc, fcc, and hcp unit cells with minimum possible cell size allowing for the proper composition. Our calculations demonstrate that the strength of electronic correlations on the Fe 3d shell is highly sensitive to the phase and local environment. In the bcc phase the 3d electrons at the Fe site with Fe only nearest neighbors remain rather strongly correlated even at extreme pressure-temperature conditions, with the local and uniform magnetic susceptibility exhibiting a Curie-Weiss-like temperature evolution and the quasi-particle lifetime {Gamma} featuring a non-Fermi-liquid temperature dependence. In contrast, for the corresponding Fe site in the hcp phase we predict a weakly-correlated Fermi-liquid state with a temperature-independent local susceptibility and a quadratic temperature dependence of {Gamma}. The iron sites with nickel atoms in the local environment exhibit behavior in the range between those two extreme cases, with the strength of correlations gradually increasing along the hcp-fcc-bcc sequence. Further, the inter-site magnetic interactions in the bcc and hcp phases are also strongly affected by the presence of Ni nearest neighbors. The sensitivity to the local environment is related to modifications of the Fe partial density of states due to mixing with Ni 3d-states.
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