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Liang-Jian Zou

Publications and source records attributed to Liang-Jian Zou.

At least 19 recordsLinked to original sources

Correlation-renormalized spin-fluctuation pairing and the stabilization of $s_{\pm}$ superconductivity in pressurized La$_3$Ni$_2$O$_7$

The superconducting gap symmetry of pressurized La$_3$Ni$_2$O$_7$ remains unsettled because conventional weak-coupling calculations often place the system close to competing sign-changing $s$- and $d$-wave instabilities. Using the four-orbital Wannier Hamiltonian of Xia et al., we combine single-site two-orbital dynamical mean-field theory (DMFT) with a self-energy-renormalized random-phase approximation (RPA). The central step is to replace the bare particle-hole bubble $G_0G_0$ of ordinary RPA by a $G_{\rm DMFT}G_{\rm DMFT}$ bubble, while keeping the same residual Slater--Kanamori interaction vertices. In the bare RPA benchmark, the leading pairing eigenvalue belongs to the $B_{2g}$ $d_{xy}$ channel. Once the DMFT self-energy is included, the hierarchy is reversed: the $A_{1g}$ sign-changing $s_{\pm}$ state becomes dominant, the $B_{1g}$ $d_{x^2-y^2}$ channel is subleading, and the original $B_{2g}$ instability is strongly suppressed. Pocket-pair decomposition and orbital-resolved susceptibilities show that the reversal originates from orbital-selective renormalization of the $d_{3z^2-r^2}$ sector, which filters the $γ$-pocket scattering processes that stabilize $d_{xy}$ pairing in bare RPA while preserving distributed inter-pocket processes favorable to $s_{\pm}$ pairing. As an independent two-particle validation, we further compute the static spin susceptibility using the dual Bethe--Salpeter equation with the local DMFT vertex. The resulting susceptibility retains a broad finite-momentum magnetic response and is weak near $Γ$, strengthening the spin-fluctuation background for the correlation-stabilized $s_{\pm}$ state. Our results demonstrate that strong correlations are not a secondary correction in La$_3$Ni$_2$O$_7$: an appropriate treatment of correlation-renormalized quasiparticles is essential for predicting the superconducting pairing symmetry.

cond-mat.supr-con

Three-Band Anderson Lattice Model Reveals Co-Evolution of Topological and Magnetic Phases Driven by Electron Correlation

Understanding the interplay of band topology, strong electron correlation, and magnetic order is the fundamental core bottleneck for realizing robust high-temperature quantum anomalous Hall effect (QAHE). Conventional two-band Anderson models are limited to paramagnetic Kondo topological insulators, failing to capture coupled topological-magnetic phase evolution relevant to the QAHE benchmark MnBi2Te4 family. We develop a minimal three-band Anderson lattice model incorporating Hubbard interaction, s-d exchange coupling, and a BHZ-like topological mechanism. Using the Kotliar-Ruckenstein slave-boson approach, we map correlation-driven phase transitions at filling v=2: increasing U drives a trivial-to-Kondo topological insulator transition, then activates the third band to mediate a paramagnetic topological insulator-to-ferromagnetic metal transition. The accompanying band reconstruction--fully spin-polarized d-orbitals sinking below the Fermi level, leaving itinerant p-orbitals to dominate low-energy physics--qualitatively matches published first-principles results for MnBi2Te4. In the strong-correlation regime, exchange coupling J stabilizes a Chern-Kondo insulator (C=1) and Weyl nodal-line semimetal. Critically, we reveal full d-orbital spin polarization renders the topological gap immune to correlation-induced narrowing, resolving the long-standing strong correlation-large gap incompatibility. Our results show excellent qualitative alignment with recent state-of-the-art QAHE experiments, providing a unified framework for correlated magnetic topological materials and new pathways to high-temperature QAHE.

cond-mat.str-el

Pressure and doping control of magnetic order and metallization in Ruddlesden-Popper La2NiO4

The discovery of superconductivity in multilayer nickelates under pressure has intensified interest in understanding the magnetic and electronic properties of Ruddlesden-Popper nickelates. Using density functional theory with Hubbard corrections, we investigate the magnetic ground state, electronic structure evolution under pressure, and Sr-doping effects in La$_2$NiO$_4$. We find that at ambient pressure, tetragonal La$_2$NiO$_4$ exhibits G-type antiferromagnetic order with negligible interlayer magnetic coupling. Under hydrostatic pressure, the system undergoes a continuous insulator-metal transition at ~50 GPa while maintaining robust magnetic order up to 75 GPa, contrasting sharply with the rapid magnetic suppression in La$_3$Ni$_2$O$_7$. Sr doping induces a systematic evolution from G-type to A-type, to striped antiferromagnetic orders, and eventually to ferromagnetic order, accompanied by metallization. Furthermore, LaSrNiO$_4$ displays weak charge and orbital orders. These results reveal the unique pressure and doping effects of single-layer nickelates and provide insights into the magnetic mechanisms underlying nickelate superconductivity.

cond-mat.supr-con

Chirality-selective topological magnon phase transition induced by interplay of anisotropic exchange interactions in honeycomb ferromagnet

A variety of distinct anisotropic exchange interactions commonly exist in one magnetic material due to complex crystal, magnetic and orbital symmetries. Here we investigate the effects of multiple anisotropic exchange interactions on topological magnon in a honeycomb ferromagnet, and find a chirality-selective topological magnon phase transition induced by a complicated interplay of Dzyaloshinsky-Moriya interaction (DMI) and pseudo-dipolar interaction (PDI), accompanied by the bulk gap close and reopen with chiral inversion. Moreover, this novel topological phase transition involves band inversion at high symmetry points $K$ and $K'$, which can be regarded as a pseudo-orbital reversal, i.e. magnon valley degree of freedom, implying a new manipulation corresponding to a sign change of the magnon thermal Hall conductivity. Indeed, it can be realized in 4$d$ or 5$d$ correlated materials with both spin-orbit coupling and orbital localized states, such as iridates and ruthenates, etc. This novel regulation may have potential applications on magnon devices and topological magnonics.

cond-mat.str-el

Unveiling the Phase Diagram and Nonlinear Optical Responses of a Twisted Kitaev Chain

Detecting Kitaev interactions in real materials remains challenge, as conventional experimental techniques often have difficulty distinguishing fractionalized excitations from other normal contributions. Terahertz two-dimensional coherent spectroscopy (2DCS) offers a novel approach for probing many-body phenomena, such as exotic excitations in quantum magnets. Motivated by recent experiments on CoNb$_2$O$_6$ and the development of the terahertz spectroscopy in Kitaev quantum spin liquid, we proposed a twisted Kitaev model for CoNb$_2$O$_6$ and determined the precise twist angle according to experimental specific-heat phase diagram. With this calibrated model, we found that non-rephasing diagonal and rephasing anti-diagonal signals appear in the 2DCS nonlinear response. The $x$ and $y$ components of the spin superexchange interactions split the rephasing signals into a grid of discrete peaks. We further demonstrate that the diagonal and the discrete rephasing signals primarily originate from two-spinon and four-spinon excitation processes based on numerical projection method. These findings indicate that even weak Kitaev interactions in quantum materials can be effectively detected via two-dimensional coherent spectroscopy .

cond-mat.str-el

Universal quasi-degenerate orbital origin of two-dome phases in iron pnictide superconductors

A series of experiments revealed that novel bipartite magnetic and superconducting (SC) phases widely exist in the phase diagrams of iron pnictides and chalcogenides. Nevertheless, the origin of the two-dome magnetic and SC phases in iron-based compounds remains unclear. Here we theoretically investigated the electronic structures, magnetic and SC properties of three representative iron-based systems, i.e. LaFeAsO$_{1-x}$H$_{x}$, LaFeAs$_{1-x}$P$_{x}$O and KFe$_{2}$As$_{2}$. We propose a unified quasi-degenerate orbital mechanism for the emergence of the two-dome parent magnetic/structural phase and the subsequent two-dome SC phase. It is found that the degenerate in-plane anisotropic $d_{xz/yz}$ orbitals dominate the first magnetic/structural and SC phases, while in-plane isotropic orbitals $d_{xy}$ or $d_{3z^{2}-r^{2}}$ with quasi-degeneracy originating from quasi-symmetry drive the emergence of the second magnetic/SC dome phase. Moreover, a matching rule of spin and orbital modes for SC pairing state is proposed in multi-orbital iron-based systems. These results imply an orbital-driven mechanism as well as an orbital-selective scenario, and shed light on the understanding of the multi-dome magnetic and SC phases in multi-orbital systems.

cond-mat.supr-con

Multiple topological phases of magnons induced by Dzyaloshinskii-Moriya and pseudodipolar anisotropic exchange interactions in Kagome ferromagnets

Kagome magnets naturally hosting Dirac points and flat bands exhibit novel topological phases, enabling rich interplays between interactions and topologies. The discovery of two-dimensional (2D) magnets generally coexisting with different types of magnetic interactions poses a challenge for topological magnonic manipulation. Here we investigate the topological magnon phases of 2D Kagome ferromagnet with multiple magnetic anisotropic interactions, i.e. Dzyaloshinskii-Moriya interaction (DMI) and pseudo-dipolar interaction (PDI). It is found that the different sole magnetic anisotropic interactions introduce completely distinct topological phase diagrams and topological states. The multiple topological magnon phases with high Chern number emerge due to the distinct anisotropic interactions. Moreover, the interplay of the multiple anisotropic DMI and PDI interactions involved with Dirac and flat bands controls a variety of topological phase transitions, implying greater manipulation potential. In addition, the sign reversal of thermal Hall and Nernst conductivities induced by temperature is found in particular topological phase regions, namely topological origin, relating to the energy gap and Berry curvature (Chern number) in the vicinity of magnetic phase transition from the thermal fluctuations, providing a possible explanation for the experimental puzzles. All these results demonstrate that the novel topological magnonic properties in Kagome magnet with multiple magnetic anisotropic interactions can realize a potential platform for magnonic devices and quantum computing.

cond-mat.str-el

Evolution of correlated electronic states of La2NiO4 under hydrostatic pressure

We elucidate the electronic structure and quantum many-body instabilities of the monolayer nickelate La2NiO4 under hydrostatic pressure using a combination of density functional theory, dynamical mean-field theory (DFT+DMFT), and random phase approximation (RPA). Our DFT+DMFT calculations reveal non-Fermi-liquid behavior and coherence loss near the Fermi level at low pressures, driven by strong electron correlations within the Ni-e_g orbital manifold, which is analogous to the low-energy electronic properties observed in La3Ni2O7. However, multi-orbital spin susceptibility analysis demonstrates an exceptionally suppressed critical Stoner parameter U_c (about 0.4~0.7 eV), indicating robust magnetic order that dominates the ground state and precludes superconductivity in the pristine system. Below U_c, superconducting instabilities exhibit a pressure-driven symmetry transition: the d_(x2-y2)-wave pairing prevails at ambient and low pressure, while the s+g-wave symmetry occurs above 75 GPa. This transition is attributed to pressure-induced self-doping effect. The high-angular-momentum g-wave component incurs significant energetic penalties, rendering high-Tc superconductivity unlikely. We conclude that the absence of superconductivity in La2NiO4 arises from its robust intrinsic magnetism and the unfavorable pairing symmetry under pressure, suggesting that alternative routes-such as chemical doping or epitaxial strain-are necessary to suppress magnetism and unlock superconducting states.

cond-mat.str-el

Anomalous Phonon in Charge-Density-Wave Phase of Kagome Metal CsV3Sb5

CsV3Sb5, a notable compound within the kagome family, is renowned for its topological and superconducting properties, as well as its detection of local magnetic field and anomalous Hall effect in experiments. However, the origin of this local magnetic field is still veiled. In this study, we employ the first-principles calculations to investigate the atomic vibration in both the pristine and the charge-density-wave phases of CsV$_3$Sb$_5$. Our analysis reveals the presence of ``anomalous phonons" in these structures, these phonon induce the circular vibration of atoms, contributing to the phonon magnetic moments and subsequently to the observed the local magnetic fields. Additionally, we observe that lattice distortion in the charge-density-wave phase amplifies these circular vibrations, resulting in a stronger local magnetic field, particularly from the vanadium atoms. This investigation not only reveals the potential relation between lattice distortion and atomic polarization but also offers a novel idea to understand the origin of local magnetic moment in CsV3Sb5.

cond-mat.mtrl-sci

Electronic instability in pressured black phosphorus under strong magnetic field

In this paper we have systematically studied the electronic instability of pressured black phosphorous (BP) under strong magnetic field. We first present an effective model Hamiltonian for pressured BP near the Lifshitz point. We show that when the magnetic field exceeds a certain critical value, the nodal-line semimetal (NLSM) state of BP with a small band overlap re-enters semiconductive phase by re-opening a small gap. This results in a narrow-band semiconductor with a partially flat valence band edge. We show that above this critical magnetic field, two possible instabilities, i.e., charge density wave (CDW) phase or excitonic insulator (EI) phase, are predicted as the ground state for high and low doping concentrations, respectively. By comparing our results with the experiment, we suggest the field-induced instability observed in recent experiment as EI. Furthermore, we propose that the semimetallic BP under pressure with small band overlaps may provide a good platform to study the magneto-exciton insulators. Our findings bring the first insight into the electronic instability of topological NLSM in the quantum limit.

cond-mat.str-el

Possible high-temperature magnetically topological material Mn$_{3}$Bi$_{2}$Te$_{6}$

The Mn-Bi-Te family displaying magnetism and non-trivial topological properties has received extensive attention. Here, we predict that the antiferromagnetic structure of Mn$_{3}$Bi$_{2}$Te$_{6}$ with three MnTe layers is energetically stable and the magnetic coupling strength of Mn-Mn is enhanced four times compared with that in the single MnTe layer of MnBi$_{2}$Te$_{4}$. The predicted Néel transition point is higher than 77 K, the liquid-nitrogen temperature. The topological properties show that with the variation of the MnTe layer from a single layer to three layers, the system transforms from a nontrivial topological phase to a trivial topological phase. Interestingly, the ferromagnetic state of Mn$_{3}$Bi$_{2}$Te$_{6}$ is a topological semimetal and it exhibits a topological transition from trivial to nontrivial induced by the magnetic transition. Our results enrich the Mn-Bi-Te family system, offer a new platform for studying topological phase transitions, and pave a new way to improve the working temperature of magnetically topological devices.

cond-mat.str-el

Topological magnons in one-dimensional ferromagnetic Su-Schrieffer-Heeger model with anisotropic interaction

Topological magnons in a one-dimensional (1D) ferromagnetic (FM) Su-Schrieffer-Heeger (SSH) model with anisotropic exchange interactions are investigated. Apart from the inter-cellular isotropic Heisenberg interaction, the intercellular anisotropic exchange interactions, i.e. Dzyaloshinskii-Moriya interaction (DMI) and pseudo-dipolar interaction (PDI), also can induce the emergence of the non-trivial phase with two degenerate in-gap edge states separately localized at the two ends of the 1D chain, while the intracellular interactions instead unfavors the topological phase. The interplay among them has synergistic effects on the topological phase transition, very different from that in the two-dimensional (2D) ferromagnet. These results demonstrate that the 1D magnons possess rich topological phase diagrams distinctly different from the electronic version of the SSH model and even the 2D magnons. Due to the lower dimensional structural characteristics of this 1D topological magnonic system, the magnonic crystals can be constructed from bottom to top, which has important potential applications in the design of novel magnonic devices.

cond-mat.str-el

Electron Tunneling Spectroscopy of the Anisotropic Kitaev Quantum Spin Liquid Sandwiched with Superconductors

We present the electron tunneling transport and spectroscopic characters of a superconducting {\it Josephson} junction with a barrier of single anisotropic Kitaev quantum spin liquid (QSL) layer. We find that the dynamical spin correlation features are well reflected in the direct-current differential conductance $dI^{c}/dV$ of the single-particle tunneling, including the unique spin gap and dressed itinerant Majorana dispersive band, in addition to an energy shift $2Δ$ of two-lead superconducting gaps. From the spectral characters, we identify different topological quantum phases of the anisotropic Kitaev QSL. We also present the zero-voltage {\it Josephson} current $I^{s}$ which displays residual features of the anisotropic Kitaev QSL. These results pave a new way to measure the dynamical spinon or Majorana fermion spectroscopy of the Kitaev and other spin liquid materials.

cond-mat.str-el

Ferromagnetism in layered metallic Fe1/4TaS2 in the presence of conventional and Dirac carriers

In this paper we present the microscopic origin of the ferromagnetism of Fe0.25TaS2 and its finite-temperature magnetic properties. We first obtain the band structures of Fe0.25TaS2 by the first-principles calculations and find that both conventional and Dirac carriers coexist in metallic Fe0.25TaS2. Accordingly, considering the spin-orbit coupling of Fe 3d ion, we derive an effective RKKY-type Hamiltonian between Fe spins in the presence of both the conventional parabolic-dispersion and the Dirac linear-dispersion carriers, which contains a Heisenberg-like, an Ising-like and an XY-like term. In addition, we obtain the ferromagnetic Curie temperature Tc by using the cluster self-consistent field method. Our results could address not only the high ferromagnetic Curie temperature, but also the large magnetic anisotropy in FexTaS2.

cond-mat.mtrl-sci

Effective minimal model and unconventional spin-singlet pairing in Kagome superconductor CsV3Sb5

Recently synthesized Kagome compounds AV$_3$Sb$_5$ attract great attention due to the unusual coexistence of the topology, charge density wave and superconductivity. In this {\it Letter}, based on the band structures for CsV$_3$Sb$_5$ in pristine phase, we fit an effective 6-band model for the low-energy processes; utilizing the random phase approximation (RPA) on the effective minimal model, we obtain the momentum-resolved static spin susceptibility attributing the spin-fluctuation pairing mechanism, we find that the superconducting pairing strengths increase with the lift of the Coulomb correlation, and the superconductive pairing symmetry is singlet, the gap functions are antisymmetric with respect to the x-axis and the y-axis in the intermediate to strong Coulomb correlated regime,indicating the unconventional superconductivity in Kagome compounds AV$_3$Sb$_5$.

cond-mat.supr-con

Topological quantum phase transitions of anisotropic AFM Kitaev model driven by magnetic field

We investigate the quantum spin liquid (QSL) ground state of anisotropic Kitaev model with antiferromagnetic (AFM) coupling under the $[001]$ magnetic field with the finite-temperature Lanczos method (FTLM). In this anisotropic AFM Kitaev model with $K_{X}=K_{Y}$, $K_{X}+K_{Y}+K_{Z}=-3K$, and $K_{Z}<-K$, with magnetic field increasing, the gapped QSL experiences a transition to a gapless QSL at $h_{c1}=gμ_{B}H_{z1}/K$, to another gapless QSL with $C_{6}$ rotational symmetry at $h_{c2}$, and to a new $U(1)$ gapless QSL between $h_{c3}$ and $h_{c4}$, respectively. These indicate that magnetic field could first turn the anisotropic gapped or gapless QSL back into the isotropic $C_{6}$ gapless one and then make it to undergo the similar evolution as the isotropic case. Moreover, the critical magnetic fields $h_{c1}$, $h_{c2}$, $h_{c3}$, and $h_{c4}$ come up monotonically with the increasing Kitaev coupling; this suggests that the magnetic field can be applied to the modulation of the anisotropic Kitaev materials.

cond-mat.str-el

Band crossover and magnetic phase diagram of high-Tc superconducting compound Ba2CuO4-δ

We present the influences of electronic and magnetic correlations and doping evolution on the groundstate properties of recently discovered superconductor Ba$_{2}$CuO$_{4-δ}$ by utilizing the Kotliar-Ruckenstein slave boson method. Starting with an effective two-orbital Hubbard model (Scalapino {\it et al.} Phys. Rev. {\bf B 99}, 224515 (2019)), we demonstrate that with increasing doping concentration, the paramagnetic (PM) system evolves from two-band character to single-band ones around the electron filling n=2.5, with the band nature of the $d_{3z^{2}-r^{2}}$ and $d_{x^{2}-y^{2}}$ orbitals to the $d_{x^{2}-y^{2}}$ orbital, slightly affected when the electronic correlation U varies from 2 to 4 eV. Considering the magnetic correlations, the system displays one antiferromagnetically metallic (AFM) phase in $2 2.16$ at U=2 eV, or two AFM phases in $2 $2 eV, and crosses over to d-wave when U$>$2.2 eV.

cond-mat.supr-con

Electronic correlation-driven orbital polarization transitions in the orbital-selective Mott compound Ba$_2$CuO$_{4-δ}$

The electronic states near the Fermi level of recently discovered superconductor Ba$_2$CuO$_{4-δ}$ consist primarily of the Cu $d_{x^2-y^2}$ and $d_{3z^2-r^2}$ orbitals. We investigate the electronic correlation effect and the orbital polarization of an effective two-orbital Hubbard model mimicking the low-energy physics of Ba$_2$CuO$_{4-δ}$ in the hole-rich regime by utilizing the dynamical mean-field theory with the Lanczos method as the impurity solver. We find that the hole-overdoped Ba$_2$CuO$_{4-δ}$ with $3d^8$ (Cu$^{3+}$) is in the orbital-selective Mott phase (OSMP) at half-filling, and the typical two-orbital feature remains in Ba$_2$CuO$_{4-δ}$ when the electron filling approaches $n_e\sim 2.5$, which closely approximates to the experimental hole doping for the emergence of the high-$T_c$ superconductivity. We also obtain that the orbital polarization is very stable in the OSMP, and the multiorbital correlation can drive orbital polarization transitions. These results indicate that in hole-overdoped Ba$_2$CuO$_{4-δ}$ the OSMP physics and orbital polarization, local magnetic moment, and spin or orbital fluctuations still exist. We propose that our present results are also applicable to Sr$_2$CuO$_{4-δ}$ and other two-orbital cuprates, demanding an unconventional multiorbital superconducting scenario in hole-overdoped high-$T_c$ cuprates.

cond-mat.str-el