arXiv subjects

Zhiping Yin

Publications and source records attributed to Zhiping Yin.

At least 19 recordsLinked to original sources

arXiv2026

Prediction of BaBiO$_3$-like superconducting perovskites in K-doped SrAsO$_3$

Using first-principles calculations, we predict a new perovskite compound SrAsO$_3$ . The undoped cubic phase has pronounced soft-phonon instabilities, which are gradually suppressed upon K doping the Sr site. The cubic phase becomes dynamically stable for K-doping levels above approximately 60%, and the stabilized K-doped phases are metallic with predicted conventional phonon mediated superconductivity. Moreover, the inclusion of nonlocal exchange interactions broadens the electronic bandwidth, enhances the electron-phonon coupling (EPC) strength, and increases the superconducting transition temperature ($T_c$) of these doped compounds. In particular, the HSE06 hybrid exchange-correlation functional corrected EPC constant $\lambda$ reaches 1.41 for Sr$_{0.4}$K$_{0.6}$AsO$_3$, corresponding to a predicted $T_c$ of 44.3 K. These results suggest that SrAsO$_3$ is a BaBiO$_3$-like superconducting perovskite driven by strong electron-phonon coupling.

cond-mat.supr-con↗

arXiv2026

Enhanced Anomalous Nernst Effect in the Ferromagnetic Kondo Lattice CeCo2As2

The anomalous Nernst effect (ANE), generating a voltage perpendicular to a temperature gradient due to magnetization, is closely linked to the Berry curvature (BC) near the Fermi energy in topological magnets. We report an enhanced spontaneous ANE in the ferromagnetic Kondo lattice CeCo2As2, which features Kondo-screened cerium-based 4f moments embedded in a ferromagnetic d-electron framework. The observed large anomalous Nernst coefficient, greater than the Seebeck coefficient, is attributed to the strong BC present in the f-orbital-dominated flat bands. The enhanced ANE in CeCo2As2 serves as a signature of the Fermi energy pinning within the topological flat band, highlighting the correlation-driven topology in the Kondo lattice.

cond-mat.str-el↗

arXiv2026

The giant anomalous Hall and Nernst effects in Kagome permanent magnets RCo5

Kagome lattice materials have attracted considerable attention due to their intriguing topological properties and potential applications in next-generation quantum and spintronic technologies. In particular, rare-earth permanent magnets with Kagome structure provide an ideal platform that combines robust magnetism with nontrivial quantum phenomena. However, their anomalous transport properties, particularly thermoelectric responses, remain insufficiently explored. In this work, we perform systematic first-principles calculations on the anomalous Hall and anomalous Nernst effects in Kagome permanent magnets RCo5 (R = Ce, La, Sm, Gd). We find that CeCo5 exhibits a pronounced anomalous Hall conductivity of about 1500 Omega^-1 cm^-1 while GdCo5 displays a substantial anomalous Nernst conductivity of 11 A m^-1 K^-1 within +/- 0.1 eV of the Fermi energy, both comparable to or surpassing the measured intrinsic values reported in many typical Weyl and Heusler magnets. These exceptional anomalous transport properties originate from Berry curvature hotspots near spin-orbit coupling induced band gaps. If validated, these theoretical predictions would be important for Berry-curvature-driven transport in magnetic intermetallics. Our results establish RCo5 compounds as versatile platforms for exploring Berry curvature-driven transport in tunable magnetic topological materials.

cond-mat.mtrl-sci↗

arXiv2025

Correlation tuned Fermi-arc topology in a Weyl ferromagnet

Electrons on Fermi arcs (FAs), a hallmark of Weyl semimetals, exhibit chiral transport harboring chiral anomaly, negative magnetoresistance, and Majorana zero modes. While FAs were observed in exemplary Weyl semimetal TaAs and Co3Sn2S2, the manipulation of FAs has been rarely explored. Here we take Co3Sn2S2 as an example and demonstrate that tuning the electronic correlation strength is an effective way to control the topology and connectivity of FAs. After achieving a good agreement with experimentally measured band structure by employing combined density functional theory and dynamical mean field theory (DFT+DMFT) calculations, we show that the experimental charge dynamics are well reproduced by DFT+DMFT calculations but not DFT calculations. Electronic correlation renormalizes the bands around the Fermi level and modifies the energy and location of Weyl points, and the resulting FAs. In particular, on the Co-terminated surface, the FAs are formed by connecting Weyl points located in adjacent Brillouin zones in DFT+DMFT calculations and experiments, in strong contrast to the FAs connecting Weyl points within the same Brillouin zone in DFT calculations. We further show the evolution of FAs with correlation and reveal a topological change of the FAs on the Sn-terminated surface at stronger correlation strength. Our study sheds new light on experimental manipulation of FAs to improve the electronic properties of correlated Weyl semimetals.

cond-mat.mtrl-sci↗

arXiv2025

Three-dimensional flat band in ultra-thin Kagome metal Mn3Sn film

Flat bands with small energy dispersion can give rise to strongly correlated electronic and topological phases, especially when located at the Fermi level. Whilst flat bands have been experimentally realized in two-dimensional (2D) twisted van der Waals heterostructures, they are highly sensitive to twist angle, necessitating complex fabrication techniques. Geometrically frustrated kagome lattices have emerged as an attractive platform as they natively host flat bands that have been observed experimentally in quasi-2D bulk-crystal kagome metals. An outstanding experimental question is whether flat bands can be realized in atomically thin metals, with opportunities for stronger electron-electron interactions through tuning of the surrounding dielectric environment. Here we use angle-resolved photoelectron spectroscopy, scanning tunnelling microscopy and band structure calculations to show that ultra-thin films of the kagome metal Mn3Sn host a robust dispersionless flat band with a bandwidth of 50 meV. Furthermore, we demonstrate chemical tuning of the flat band to near the Fermi level via manganese defect engineering. The realization of tunable kagome-derived flat bands in an ultra-thin kagome metal, represents a promising platform to study strongly correlated and topological phenomena, with applications in quantum computing, spintronics and low-energy electronics.

cond-mat.str-el↗

arXiv2025

Unraveling the origin of Kondo-like behavior in the 3$d$-electron heavy-fermion compound YFe$_{2}$Ge$_{2}$

The heavy fermion (HF) state of $d$-electron systems is of great current interest since it exhibits various exotic phases and phenomena that are reminiscent of the Kondo effect in $f$-electron HF systems. Here, we present a combined infrared spectroscopy and first-principles band structure calculation study of the $3d$-electron HF compound YFe$_2$Ge$_2$. The infrared response exhibits several charge-dynamical hallmarks of HF and a corresponding scaling behavior that resemble those of the $f$-electron HF systems. In particular, the low-temperature spectra reveal a dramatic narrowing of the Drude response along with the appearance of a hybridization gap ($\Delta \sim$ 50 meV) and a strongly enhanced quasiparticle effective mass. Moreover, the temperature dependence of the infrared response indicates a crossover around $T^{\ast} \sim$ 100 K from a coherent state at low temperature to a quasi-incoherent one at high temperature. Despite of these striking similarities, our band structure calculations suggest that the mechanism underlying the HF behavior in YFe$_2$Ge$_2$ is distinct from the Kondo scenario of the $f$-electron HF compounds and even from that of the $d$-electron iron-arsenide superconductor KFe$_2$As$_2$. For the latter, the HF state is driven by orbital-selective correlations due to a strong Hund's coupling. Instead, for YFe$_2$Ge$_2$ the HF behavior originates from the band flatness near the Fermi level induced by the combined effects of kinetic frustration from a destructive interference between the direct Fe-Fe and indirect Fe-Ge-Fe hoppings, band hybridization involving Fe $3d$ and Y $4d$ electrons, and electron correlations. This highlights that rather different mechanisms can be at the heart of the HF state in $d$-electron systems.

cond-mat.str-el↗

arXiv2024

A topological Hund nodal line antiferromagnet

The interplay of topology, magnetism, and correlations gives rise to intriguing phases of matter. In this study, through state-of-the-art angle-resolved photoemission spectroscopy, density functional theory and dynamical mean-field theory calculations, we visualize a fourfold degenerate Dirac nodal line at the boundary of the bulk Brillouin zone in the antiferromagnet YMn2Ge2. We further demonstrate that this gapless, antiferromagnetic Dirac nodal line is enforced by the combination of magnetism, space-time inversion symmetry and nonsymmorphic lattice symmetry. The corresponding drumhead surface states traverse the whole surface Brillouin zone. YMn2Ge2 thus serves as a platform to exhibit the interplay of multiple degenerate nodal physics and antiferromagnetism. Interestingly, the magnetic nodal line displays a d-orbital dependent renormalization along its trajectory in momentum space, thereby manifesting Hund coupling. Our findings offer insights into the effect of electronic correlations on magnetic Dirac nodal lines, leading to an antiferromagnetic Hund nodal line.

cond-mat.str-el↗

arXiv2023

Principle of learning sign rules by neural networks in qubit lattice models

A neural network is a powerful tool that can uncover hidden laws beyond human intuition. However, it often appears as a black box due to its complicated nonlinear structures. By drawing upon the Gutzwiller mean-field theory, we can showcase a principle of sign rules for ordered states in qubit lattice models. We introduce a shallow feed-forward neural network with a single hidden neuron to present these sign rules. We conduct systematical benchmarks in various models, including the generalized Ising, spin-$1/2$ XY, (frustrated) Heisenberg rings, triangular XY antiferromagnet on a torus, and the Fermi-Hubbard ring at an arbitrary filling. These benchmarks show that all the leading-order sign rule characteristics can be visualized in classical forms, such as pitch angles. Besides, quantum fluctuations can result in an imperfect accuracy rate quantitatively.

cond-mat.str-el↗

arXiv2023

Room-temperature non-volatile optical manipulation of polar order in a charge density wave

Utilizing ultrafast light-matter interaction to manipulate electronic states of quantum materials is an emerging area of research in condensed matter physics. It has significant implications for the development of future ultrafast electronic devices. However, the ability to induce long-lasting metastable electronic states in a fully reversible manner is a long-standing challenge.Here, by using ultrafast laser excitations, we demonstrate the capability to manipulate the electronic polar states in the charge-density-wavematerial EuTe4 in a non-volatile manner. The process is completely reversible and is achieved at room temperature with an all-optical approach. Each induced non-volatile state brings about modifications to the electrical resistance and second harmonic generation intensity. The results point to layer-specific phase inversion dynamics by which photoexcitation mediates the stacking polar order of the system. Our findings extend the scope of non-volatile all-optical control of electronic states to ambient conditions, and highlight a distinct role of layerdependent phase manipulation in quasi-two-dimensional systems with inherent sublayer stacking orders.

cond-mat.str-el↗

arXiv2023

Observation of Kondo lattice and Kondo-enhanced anomalous Hall effect in an itinerant ferromagnet

The interplay between Kondo screening and magnetic interactions is central to comprehending the intricate phases in heavy-fermion compounds. However, the role of the itinerant magnetic order, which is driven by the conducting (c) electrons, has been largely uncharted in the context of heavy-fermion systems due to the scarcity of material candidates. Here we demonstrate the coexistence of the coherent Kondo screening and d-orbital ferromagnetism in material system La$_{1-x}$Ce$_x$Co$_2$As$_2$, through comprehensive thermodynamic and electrical transport measurements. Additionally, using angle-resolved photoemission spectroscopy (ARPES), we further observe the f-orbit-dominated bands near the Fermi level ($E_f$) and signatures of the f-c hybridization below the magnetic transition temperature, providing strong evidence of Kondo lattice state in the presence of ferromagnetic order. Remarkably, by changing the ratio of Ce/La, we observe a substantial enhancement of the anomalous Hall effect (AHE) in the Kondo lattice regime. The value of the Hall conductivity quantitatively matches with the first-principle calculation that optimized with our ARPES results and can be attributed to the large Berry curvature (BC) density engendered by the topological nodal rings composed of the Ce-4f and Co-3d orbitals at $E_f$. Our findings point to the realization of a new platform for exploring correlation-driven topological responses in a novel Kondo lattice environment.

cond-mat.str-el↗

arXiv2022

Spin excitations in the kagome-lattice metallic antiferromagnet Fe$_{0.89}$Co$_{0.11}$Sn

Kagome-lattice materials have attracted tremendous interest due to the broad prospect for seeking superconductivity, quantum spin liquid states, and topological electronic structures. Among them, the transition-metal kagome lattices are high-profile objects for the combination of topological properties, rich magnetism, and multiple-orbital physics. Here we report an inelastic neutron scattering study on the spin dynamics of a kagome-lattice antiferromagnetic metal Fe$_{0.89}$Co$_{0.11}$Sn. Although the magnetic excitations can be observed up to $\sim$250 meV, well-defined spin waves are only identified below $\sim$90 meV and can be modeled using Heisenberg exchange with ferromagnetic in-plane nearest-neighbor coupling $J_1$, in-plane next-nearest-neighbor coupling $J_2$, and antiferromagnetic (AFM) interlayer coupling $J_c$ under linear spin-wave theory. Above $\sim$90 meV, the spin waves enter the itinerant Stoner continuum and become highly damped particle-hole excitations. At the K point of the Brillouin zone, we reveal a possible band crossing of the spin wave, which indicates a potential Dirac magnon. Our results uncover the evolution of the spin excitations from the planar AFM state to the axial AFM state in Fe$_{0.89}$Co$_{0.11}$Sn, solve the magnetic Hamiltonian for both states, and confirm the significant influence of the itinerant magnetism on the spin excitations.

cond-mat.str-el↗

arXiv2022

Correlation driven near-flat band Stoner excitations in a Kagome magnet

Among condensed matter systems, Mott insulators exhibit diverse properties that emerge from electronic correlations. In itinerant metals, correlations are usually weak, but can also be enhanced via geometrical confinement of electrons, that manifest as `flat' dispersionless electronic bands. In the fast developing field of topological materials, which includes Dirac and Weyl semimetals, flat bands are one of the important components that can result in unusual magnetic and transport behaviour. To date, characterisation of flat bands and their magnetism is scarce, hindering the design of novel materials. Here, we investigate the ferromagnetic Kagomé semimetal Co$_3$Sn$_2$S$_2$ using resonant inelastic X-ray scattering. Remarkably, nearly non-dispersive Stoner spin excitation peaks are observed, sharply contrasting with the featureless Stoner continuum expected in conventional ferromagnetic metals. Our band structure and dynamic spin susceptibility calculations, and thermal evolution of the excitations, confirm the nearly non-dispersive Stoner excitations as unique signatures of correlations and spin-polarized electronic flat bands in Co$_3$Sn$_2$S$_2$. These observations serve as a cornerstone for further exploration of band-induced symmetry-breaking orders in topological materials.

cond-mat.str-el↗

arXiv2022

Correlation-corrected band topology and topological surface states in iron-based superconductors

Iron-based superconductors offer an ideal platform for studying topological superconductivity and Majorana fermions. In this paper, we carry out a comprehensive study of the band topology and topological surface states of a number of iron-based superconductors using a combination of density functional theory (DFT) and dynamical mean field theory. We find that the strong electronic correlation of Fe 3d electrons plays a crucial role in determining the band topology and topological surface states of iron-based superconductors. Electronic correlation not only strongly renormalizes the bandwidth of Fe 3d electrons, but also shifts the band positions of both Fe 3d and As/Se p electrons. As a result, electronic correlation moves the DFT-calculated topological surface states of many iron-based superconductors much closer to the Fermi level, which is crucial for realizing topological superconducting surface states and observing Majorana zero modes as well as achieving practical applications, such as quantum computation. More importantly, electronic correlation can change the band topology and make some iron-based superconductors topologically nontrivial with topological surface states whereas they have trivial band topology and no topological surface states in DFT calculations. Our paper demonstrates that it is important to take into account electronic correlation effects in order to accurately determine the band topology and topological surface states of iron-based superconductors and other strongly correlated materials.

cond-mat.supr-con↗

arXiv2022

Electronic structure and magnetism of the Hund insulator CrI3

CrI3 is a two-dimensional ferromagnetic van der Waals material with a charge gap of 1.1-1.2 eV. In this study, the electronic structure and magnetism of CrI3 are investigated by using density functional theory and dynamical mean-field theory. Our calculations successfully reproduce a charge gap of 1.1 eV in the paramagnetic state when a Hund coupling JH = 0.7 eV is included with an on-site Hubbard U = 5 eV. In contrast, with a large U value of 8 eV and negligible Hund coupling JH, CrI3 is predicted to be a moderately correlated metal in the paramagnetic state. We conclude that CrI3 is a Mott-Hund insulator due to the half-filled configuration of the Cr 3d t2g orbitals. The Cr 3d eg orbitals are occupied by approximately one electron, which leads to strong valence fluctuations so that the Cr 3d orbitals cannot be described by a single state. Moreover, at finite temperature, the calculated ordered static magnetic moment in the ferromagnetic state is significantly larger in the R3 phase than in the C2/m phase. This observation indicates that the structural phase transition from the C2/m phase to the R3 phase with decreasing temperature is driven by ferromagnetic spin fluctuations.

cond-mat.str-el↗

arXiv2022

Correlation-enhanced electron-phonon coupling and superconductivity in (Ba,K)SbO$_3$ superconductors

The electronic structure, lattice dynamics, and electron-phonon coupling (EPC) of the newly discovered (Ba,K)SbO$_3$ superconductors are investigated by first-principles calculations. The EPC of (Ba,K)SbO$_3$ is significantly enhanced by considering non-local electronic correlation using the Heyd-Scuseria-Ernzerhof hybrid exchange-correlation functional (HSE06). The EPC strength λ of Ba$_{0.35}$K$_{0.65}$SbO$_3$ is strongly increased from 0.33 in local-density approximation calculations to 0.59 in HSE06 calculations, resulting in a superconducting transition temperature Tc of about 14.9 K, which is in excellent agreement with experimental value of ~ 15 K. Our findings suggest (Ba,K)SbO$_3$ are extraordinary conventional superconductors, where non-local electronic correlation expands the bandwidth, enhances the EPC, and boosts the Tc. Moreover, we find both λ and Tc depend crucially on the K-doping level for (Ba,K)SbO$_3$ and (Ba,K)SbO$_3$ compounds. (Ba,K)SbO$_3$ have stronger EPC strength and higher Tc than those of (Ba,K)SbO$_3$ at the same K-doping level.

cond-mat.supr-con↗

arXiv2022

Ta2NiSe5: a candidate topological excitonic insulator with multiple band inversions

The electronic structures and topological properties of the orthorhombic and monoclinic phases of the quasi-one-dimensional excitonic insulator Ta2NiSe5 are investigated based on density functional theory. In contrast to a single parity or band inversion across the Fermi level in many topological insulators studied previously, there are multiple parity and band inversions with or without spin-orbit coupling in both phases of Ta2NiSe5, resulting in more complex and topologically nontrivial electronic structures. The Dirac cone type surface states of the low-temperature monoclinic phase are also obtained. In this paper, we demonstrate that Ta2NiSe5 is a promising candidate as a three-dimensional topological excitonic insulator.

cond-mat.mtrl-sci↗

arXiv2021

Computational design of a new layered superconductor LaOTlF2

A new layered compound LaOTlF2 is designed and investigated using first-principles calculations in this work. The parent compound is an insulator with an indirect band gap of 2.65 eV. Electron-doping of the parent compound makes the material metallic. In the meantime, several lattice vibrational modes couple strongly to the conduction band, leading to a large electron-phonon coupling constant and conventional superconductivity. The highest superconducting transition temperature Tc is predicted to be approximately 8.6 K with λ about 1.25 in the optimally doped LaO0.95F0.05TlF2, where λ is calculated using the Wannier interpolation technique.

cond-mat.supr-con↗

arXiv2021

Spin excitations in metallic kagome lattice FeSn and CoSn

In two-dimensional (2D) metallic kagome lattice materials, destructive interference of electronic hopping pathways around the kagome bracket can produce nearly localized electrons, and thus electronic bands that are flat in momentum space. When ferromagnetic order breaks the degeneracy of the electronic bands and splits them into the spin-up majority and spin-down minority electronic bands, quasiparticle excitations between the spin-up and spin-down flat bands should form a narrow localized spin-excitation Stoner continuum coexisting with well-defined spin waves in the long wavelengths. Here we report inelastic neutron scattering studies of spin excitations in 2D metallic Kagome lattice antiferromagnetic FeSn and paramagnetic CoSn, where angle resolved photoemission spectroscopy experiments found spin-polarized and nonpolarized flat bands, respectively, below the Fermi level. Although our initial measurements on FeSn indeed reveal well-defined spin waves extending well above 140 meV coexisting with a flat excitation at 170 meV, subsequent experiments on CoSn indicate that the flat mode actually arises mostly from hydrocarbon scattering of the CYTOP-M commonly used to glue the samples to aluminum holder. Therefore, our results established the evolution of spin excitations in FeSn and CoSn, and identified an anomalous flat mode that has been overlooked by the neutron scattering community for the past 20 years.

cond-mat.str-el↗