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Finding and designing ferromagnets that operate above room temperature is crucial in advancing high-performance spintronic devices. The pioneering van der Waals (vdW) ferromagnet Fe$_3$GaTe$_2$ has extended the way for spintronic applications by achieving a record-high Curie temperature among its analogues. However, the physical mechanism of increasing Cuire temperature still needs to be explored. Here, we propose a practical approach to discovering high-temperature ferromagnetic materials for spintronic applications through flat band engineering. We simulate the magnetic transition directly from strongly correlated calculations, reconciling the dual nature of $d$-electrons with both localization and itinerant characters. Significantly, our systematic studies unveil the emergence of quasi-particle flat bands arising from collective many-body excitations preceding the ferromagnetic phase transition, reinforcing magnetic stability through a positive feedback mechanism. This research provides a promising pathway for exploring next-generation spintronic devices utilizing low-dimensional vdW flat band systems.

Developing a comprehensive magnetic theory for correlated itinerant magnets poses challenges due to the difficulty in reconciling both local moments and itinerant electrons. In this work, we investigate the microscopic process of magnetic phase transition in ferromagnetic metal Fe$_{3-\delta}$GeTe$_2$. We find that Hund's coupling is crucial for establishing ferromagnetic order. During the ferromagnetic transition, we observe the formation of quasiparticle flat bands and an opposing tendency in spectral weight transfer, primarily between the lower and upper Hubbard bands, across the two spin channels. Moreover, our results indicate that one of the inequivalent Fe sites exhibits Mott physics, while the other Fe site exhibits Hund's physics, attributable to their distinct atomic environments. We suggest that ferromagnetic order reduces spin fluctuations and makes flat bands near the Fermi level more distinct. The hybridization between the distinctly flat bands and other itinerant bands offers a possible way to form heavy fermion behavior in ferromagnets. The complex interactions of competing orders drive correlated magnetic metals to a new frontier for discovering outstanding quantum states.

The interplay of topological band structures and electronic correlations may lead to novel exotic quantum phenomena with potential applications. First-principles calculations are critical for guiding the experimental discoveries and interpretations, but often fail if electronic correlations cannot be properly treated. Here we show that this issue occurs also in the antiferromagnetic kagome lattice Mn$_3X$ ($X=$ Sn, Ge), which exhibit a large anomalous Hall effect due to topological band structures with Weyl nodes near the Fermi energy. Our systematic investigations reveal a crucial role of the Hund's rule coupling on three key aspects of their magnetic, electronic, and topological properties: (1) the establishment of noncollinear antiferromagnetic orders, (2) the weakly renormalized bands in excellent agreement with ARPES, and (3) a sensitive tuning of the Weyl nodes beyond previous expectations. Our work provides a basis for understanding the topological properties of Mn$_3X$ and challenges previous experimental interpretations based on incorrect band structures.

The noncentrosymmetric ferromagnetic Weyl semimetal CeAlSi with simultaneous space-inversion (SI) and time-reversal (TR) symmetry breaking provides a unique platform for the exploration of novel topological states. Here, by employing electrical and thermoelectrical transport, angle-resolved photoemission spectroscopy (ARPES), high-pressure techniques, and band calculations, we demonstrate that magnetism and pressure can serve as efficient parameters to tune the positions of Weyl nodes in CeAlSi. At ambient pressure, an anomalous Hall effect (AHE) and an anomalous Nernst effect (ANE) arise in the paramagnetic state, and then are enhanced when temperature approaches the ferromagnetic ordering temperature, evidencing magnetism facilitates the AHE/ANE. Such an enhancement of AHE/ANE can be ascribed to the tuning of the positions of Weyl nodes via magnetism. The ARPES measurements reveal that the ferromagnetism serves as a pivotal knob to tune the band structure of CeAlSi both in the bulk and on the surface. Such magnetism-tunable electronic structure has hitherto not been reported in other magnetic $R$Al$Pn$ ($R$ = rare earth elements, $Pn$ = Si, Ge) siblings, suggesting the great potential of controlling Weyl node positions in CeAlSi. Under pressure, an enhancement and a sign change of AHE are discovered. Based on band calculations, the evolution of AHE may root in the tuning of Weyl nodes via pressure. Moreover, multiple pressure-induced phase transitions are uncovered. These findings indicate that CeAlSi provides a unique and tunable platform for exploring exotic topological physics and electron correlations, as well as catering to an array of potential applications, such as spintronics and thermoelectrics.

The quantum spin liquid candidate NaYbSe$_2$ was recently reported to exhibit a Mott transition under pressure. Superconductivity was observed in the high-pressure metallic phase, raising the question concerning its relation with the low-pressure quantum spin liquid ground state. Here we combine the density functional theory and the dynamical mean-field theory to explore the underlying mechanism of the insulator-to-metal transition and superconductivity and establish an overall picture of its electronic phases under pressure. Our results suggest that NaYbSe$_2$ is a charge-transfer insulator at ambient pressure. Upon increasing pressure, however, the system first enters a semi-metallic state with incoherent Kondo scattering against coexisting localized Yb-$4f$ moments, and then turns into a heavy fermion metal. In between, there may exist a delocalization quantum critical point responsible for the observed non-Fermi liquid region with linear-in-$T$ resistivity. The insulator-to-metal transition is therefore a two-stage process. Superconductivity emerges in the heavy fermion phase with well-nested Yb-4$f$ Fermi surfaces, suggesting that spin fluctuations may play a role in the Cooper pairing. NaYbSe$_2$ might therefore be the 3rd Yb-based heavy-fermion superconductor with a very "high" $T_c$ than most heavy fermion superconductors., Comment: 6 pages, 4 figures

Magnetic fluctuations is the leading candidate for pairing in cuprate, iron-based and heavy fermion superconductors. This view is challenged by the recent discovery of nodeless superconductivity in CeCu$_2$Si$_2$, and calls for a detailed understanding of the corresponding magnetic fluctuations. Here, we mapped out the magnetic excitations in \ys{superconducting (S-type)} CeCu$_2$Si$_2$ using inelastic neutron scattering, finding a strongly asymmetric dispersion for $E\lesssim1.5$~meV, which at higher energies evolve into broad columnar magnetic excitations that extend to $E\gtrsim 5$ meV. While low-energy magnetic excitations exhibit marked three-dimensional characteristics, the high-energy magnetic excitations in CeCu$_2$Si$_2$ are almost two-dimensional, reminiscent of paramagnons found in cuprate and iron-based superconductors. By comparing our experimental findings with calculations in the random-phase approximation,we find that the magnetic excitations in CeCu$_2$Si$_2$ arise from quasiparticles associated with its heavy electron band, which are also responsible for superconductivity. Our results provide a basis for understanding magnetism and superconductivity in CeCu$_2$Si$_2$, and demonstrate the utility of neutron scattering in probing band renormalization in heavy fermion metals.

The tilted balance among competing interactions can yield a rich variety of ground states of quantum matter. In most Ce-based heavy fermion systems, this can often be qualitatively described by the famous Doniach phase diagram, owing to the competition between the Kondo screening and the Ruderman-Kittel-Kasuya-Yoshida exchange interaction. Here, we report an unusual pressure-temperature phase diagram beyond the Doniach one in CeCuP2. At ambient pressure, CeCuP2 displays typical heavy-fermion behavior, albeit with a very low carrier density. With lowering temperature, it shows a crossover from a non Fermi liquid to a Fermi liquid at around 2.4 K. But surprisingly, the Kondo coherence temperature decreases with increasing pressure, opposite to that in most Ce-based heavy fermion compounds. Upon further compression, two superconducting phases are revealed. At 48.0 GPa, the transition temperature reaches 6.1 K, the highest among all Ce-based heavy fermion superconductors. We argue for possible roles of valence tuning and fluctuations associated with its special crystal structure in addition to the hybridization effect. These unusual phase diagrams suggest that CeCuP2 is a novel platform for studying the rich heavy fermions physics beyond the conventional Doniach paradigm.

We report angle-resolved photoemission spectroscopy and first-principles numerical calculations for the band structure evolution of the 3d heavy-fermion compound CaCu3Ru4O12. Below 200 K, we observed an emergent hybridization gap between the Cu 3d electron-like band and the Ru 4d hole-like band and the resulting flat band features near the Fermi energy centered around the Brillouin zone corner. Our results confirm the non-Kondo nature of CaCu3Ru4O12, in which the Cu 3dxy electrons are less correlated and not in the Kondo limit. Comparison between theory and experiment also suggests that other mechanism such as nonlocal interactions or spin fluctuations beyond the local dynamical mean-field theory may be needed in order to give a quantitative explanation of the peculiar properties in this material.

We report first-principles and strongly-correlated calculations of the newly-discovered heavy fermion superconductor UTe$_2$. Our analyses reveal three key aspects of its magnetic, electronic, and superconducting properties, that include: (1) a two-leg ladder-type structure with strong magnetic frustrations, which might explain the absence of long-range orders and the observed magnetic and transport anisotropy; (2) quasi-two-dimensional Fermi surfaces composed of two separate electron and hole cylinders with similar nesting properties as in UGe$_2$, which may potentially promote magnetic fluctuations and help to enhance the spin-triplet pairing; (3) a unitary spin-triplet pairing state of strong spin-orbit coupling at zero field, with point nodes presumably on the heavier hole Fermi surface along the $k_x$-direction, in contrast to the previous belief of non-unitary pairing. Our proposed scenario is in excellent agreement with latest thermal conductivity measurement and provides a basis for understanding the peculiar magnetic and superconducting properties of UTe$_2$., Comment: 6 pages, 4 figures, 1 table

Recent discovery of superconductivity in YbRh$_2$Si$_2$ has raised particular interest in its pairing mechanism and gap symmetry. Here we propose a phenomenological theory of its superconductivity and investigate possible gap structures by solving the multiband Eliashberg equations combining realistic Fermi surfaces from first-principles calculations and a quantum critical form of magnetic pairing interactions. The resulting gap symmetry shows sensitive dependence on the in-plane propagation wave vector of the quantum critical fluctuations, suggesting that superconductivity in YbRh$_2$Si$_2$ is located on the border of $(p_x+ip_y)$ and $d_{x^2-y^2}$-wave solutions. This leads to two candidate phase diagrams: one has only a spin-triplet $(p_x+ip_y)$-wave superconducting phase; the other contains multiple phases with a spin-singlet $d_{x^2-y^2}$-wave state at zero field and a field-induced spin-triplet $(p_x+ip_y)$-wave state. In addition, the electron pairing is found to be dominated by the `jungle-gym' Fermi surface rather than the `doughnut'-like one, in contrast to previous thought. This requests a more elaborate and renewed understanding of the electronic properties of YbRh$_2$Si$_2$., Comment: 11 pages, 7 figures

We revisited the anisotropy of the heavy-fermion material CeCo$_2$Ga$_8$ by measuring the electrical resistivity and magnetic susceptibility along all the principal $\mathbf{a}$-, $\mathbf{b}$- and $\mathbf{c}$-axes. Resistivity along $\mathbf{c}$-axis ($\rho_c$) shows clear Kondo coherence below about 17 K, while both $\rho_{a}$ and $\rho_{b}$ remain incoherent down to 2 K. The magnetic anisotropy is well understood within the theoretical frame of crystalline electric field effect in combination with magnetic exchange interactions. We found the anisotropy ratio of these magnetic exchange interactions, $|J_{ex}^c/J_{ex}^{a,b}|$, reaches a large value of 4-5. We, therefore, firmly demonstrate that CeCo$_2$Ga$_8$ is a quasi-one-dimensional heavy-fermion compound both electrically and magnetically, and thus provide a realistic example of \textit{Kondo chain}., Comment: 5 pages, 4 figures, 1 table

We report a detailed and comparative study of the single crystal CeCoInGa$_3$ in both experiment and theory. Resistivity measurements reveal the typical behavior of Kondo lattice with the onset temperature of coherence, $T^*\approx 50\,$K. The magnetic specific heat can be well fitted using a spin-fluctuation model at low temperatures, yielding a large Sommerfeld coefficient, $\gamma\approx172\,$mJ/mol K$^2$ at 6 K, suggesting that this is a heavy-fermion compound with a pronounced coherence effect. The magnetic susceptibility exhibits a broad field-independent peak at $T_{\chi}$ and shows an obvious anisotropy within the $bc$ plane, reflecting the anisotropy of the coherence effect at high temperatures. These are compared with strongly correlated calculations combining first-principles band structure calculations and dynamical mean-field theory. Our results confirm the onset of coherence at about 50 K and reveal a similar anisotropy in the hybridization gap, pointing to a close connection between the hybridization strength of the low-temperature Fermi-liquid state and the high-temperature coherence effect., Comment: 7 pages, 6 figures

Heavy-fermion materials are mostly rare-earth or actinide intermetallics with very few exceptions in d-electron systems. The physical mechanism for these d-electron heavy fermion systems remains unclear. Here by studying the quadruple-perovskite CaCu3Ir4O12, we propose a symmetry-based mechanism that may enforce heavy-fermion physics in d-electron systems. We show that electron hoppings between neighboring Cu 3d-orbitals are strictly prohibited by the crystal symmetry, so that Cu 3d-electrons can only become delocalized through hybridization with other more itinerant bands, resembling that in typical heavy-fermion rare-earth intermetallics. This provides a useful way to enforce heavy-fermion physics in d-electron systems and may help future design of new heavy-fermion materials., Comment: 5 pages, 2 figures

Manganese monophosphide (MnP) shows complicated magnetic states varying with both temperature and pressure. We calculate the magnetic and electronic structures of MnP at different pressures using first-principles methods and obtain spiral ground states whose propagation vector changes from the c-axis at low pressure to the b-axis at high pressure. In between, we find a ferromagnetic state, as observed in the experimental phase diagram. The propagation vector of the spiral states is found to vary nonmonotonically with pressure, consistent with neutron measurements. Our results indicate that the complicated magnetic phase diagram originates from a delicate competition between neighboring exchange interactions between the Mn-ions. At all pressures, the electronic structures indicate the existence of quasi-one-dimensional charge carriers, which appear in the ferromagnetic state and become gapped in the spiral state, and anisotropic three-dimensional charge carriers. We argue that this two-fluid behavior originates from the special crystal structure of MnP and may be relevant for understanding the pairing mechanism of the superconductivity at the border of the high pressure spiral phase., Comment: 8 pages, 6 figures, 2 tables