arXiv subjects

Na Jiao

Publications and source records attributed to Na Jiao.

7 recordsLinked to original sources

arXiv2026

Prediction of 1:1 kagome metals with superconductivity and band topology

Kagome superconductors featuring topologically nontrivial band structures have attracted extensive research interest. FeSn and CoSn is a new kind of kagome material with intrinsic magnetism, which suppresses the emergence of superconductivity. Here, we theoretically predict a new kind of 1:1 kagome MSn (M=transition metal), which exhibit intrinsic superconductivity and nontrivial band topology by first-principles calculations. Among twenty-seven candidates, MSn (M= Mo, Hf, Nb, Ta, W, Ti) are theoretically identified as both dynamically and thermodynamical stable. And, five non-magnetic MSn (M= Mo, Hf, Nb, Ta, W) exhibit phonon-mediated superconductivity. Especially, the d orbitals bands display Dirac points and van Hove singularities near the Fermi level, which contribute to the emergence of topology and the electron-phonon coupling (EPC). More interestingly, MoSn, HfSn and NbSn show nontrivial topological band structure at the Fermi level. Thus, the predicted MSn establish a platform integrating superconductivity and topological order.

cond-mat.supr-con↗

arXiv2026

Intertwined charge density wave, tunable anti-dome superconductivity, and topological states in kagome metal VSn

These years, kagome materials with 1:1 stoichiometry have garnered increasing attention, among which FeSn, CoSn, and FeGe have been the focus of current studies. However, all of them are antiferromagnetic, thereby hindering the observation of superconductivity and other novel physical properties. Here, we predict a novel 1:1 kagome metal VSn, which is an intrinsic charge density wave (CDW) material. Interestingly, with increasing pressure or doping concentration, the CDW order is progressively suppressed, followed by the emergence of superconductivity characterized by a non-monotonic transition temperature that exhibits a rare anti-dome-shaped dependence. Above a critical threshold, a reentrance of the CDW phase occurs. The anti-dome superconductivity originates from the first hardening and then softening of phonon modes, together with band reconstruction. Crucially, VSn retains nontrivial topological properties across the entire superconducting regime, a feature of paramount importance for realizing robust topological superconductivity. These intertwined CDW, superconductivity, and topological phenomena elucidate the correlations among multiple quantum states in VSn. Therefore, this research paves the way for for designing 1:1 kagome superconducting topological metals and establishes a platform for exploring the interplay of multiple phases in kagome systems.

cond-mat.mtrl-sci↗

arXiv2025

Two-dimensional transition metal selenides family M2Se: A platform for superconductivity, band topology, and charge density waves

MXenes and MBenes, which are two-dimensional (2D) transition metal carbides/nitrides and borides, have been extensively studied for their impressive properties. Recently, we reported a family of transition metal sulfides MSene (M2S) with rich properties [Phys. Rev. B 111, L041404 (2025)], it is worth studying whether selenides with similar structure also have rich properties. In this work, through high-throughput screening, we present a novel family of 2D transition metal selenides, M2Se. In this family, there are fifty-eight candidate materials, of which ten are stable and metallic. Notably, eight exhibit superconductivity, among which four are superconducting topological metals. Besides, eight show charge density wave (CDW) behavior, among which five also exhibit antiferromagnetism. It is revealed that CDW originates from electron-phonon coupling rather than Fermi surface nesting. Moreover, strain can be applied to regulate the competition between CDW and superconductivity. Our findings reveal the rich properties of superconductivity, band topology, CDW, and magnetism in M2Se, providing a new platform for the controllable integration of multifunctional quantum states.

cond-mat.mtrl-sci↗

arXiv2024

MSene: A new large family of two-dimensional transition metal sulfide with MXene structure

In this work, we theoretically report a new large family of two-dimensional (2D) transition metal sulfides $M$$_{2}$S with MXene structure in 2H and 1T phases, which we name as MSene. Twenty-four out of fifty-eight MSenes are proved to be stable. Notably, this family includes twelve superconducting (SC) materials, seven SC topological metals (SCTMs), four charge density wave (CDW) materials, and five magnetic materials including one ferromagnetic (FM) and four antiferromagnetic (AFM) materials. For example, 2H-Mo$_{2}$S is a SCTM which exhibits SC critical temperature ($T_{c}$) of 10.2 K and nontrivial topological properties; 1T-Hf$_{2}$S is a CDW material with the CDW originating from electron-phonon coupling. The CDW can be suppressed by compressive strain, leading to the emergence of superconductivity; 2H-Cr$_{2}$S and 1T-Mn$_{2}$S show FM and AFM properties, respectively. Thus, the new large family we predicted shows rich physical properties and significantly expands the repertoire of 2D materials. It serves as a novel platform for investigating the competition or coexistence of multiple orders such as SC, CDW, FM, AFM and topological orders in 2D materials.

cond-mat.mtrl-sci↗

arXiv2024

Origin of Ferroelectricity and Superconductivity with Nontrivial Electronic Topology in Fluorinated Nb2N

Two-dimensional (2D) intrinsic superconductors with nontrivial topological band and vertical ferroelectricity exhibit fascinating characteristics to achieving electrostatic control of quantum phases. While, only a few such 2D materials have been theoretically predicted. In this work, based on first principles calculations, we explore the superconductivity and ferroelectric properties in fluorinated 2D Nb2N. In the stable Nb2NF2, H3-Nb2NF2 breaks the spatial inversion symmetry, exhibiting vertical ferroelectric. More interestingly, it not only possesses intrinsic superconductivity with superconducting transition temperatures (Tc) of 10 K, but also exhibits nontrivial band topology. While, H1-Nb2NF2 shows topological band and superconductivity with Tc of 32 K, surpassing most of 2D conventional topological superconductors' candidates. Our research has enriched 2D superconducting materials with nontrivial band topology and ferroelectric properties, and provided a theoretical basis for the preparation of devices switching between superconducting and ferroelectric states with external electric field.

cond-mat.supr-con↗

arXiv2023

Superconductivity in Ca-intercalated bilayer graphene: C$_{2}$CaC$_{2}$

The deposition and intercalation of metal atoms can induce superconductivity in monolayer and bilayer graphenes. For example, it has been experimentally proved that Li-deposited graphene is a superconductor with critical temperature $T_{c}$ of 5.9 K, Ca-intercalated bilayer graphene C$_{6}$CaC$_{6}$ and K-intercalated epitaxial bilayer graphene C$_{8}$KC$_{8}$ are superconductors with $T_{c}$ of 2-4 K and 3.6 K, respectively. However, the $T_{c}$ of them are relatively low. To obtain higher $T_{c}$ in graphene-based superconductors, here we predict a new Ca-intercalated bilayer graphene C$_{2}$CaC$_{2}$, which shows higher Ca concentration than the C$_{6}$CaC$_{6}$. It is proved to be thermodynamically and dynamically stable. The electronic structure, electron-phonon coupling (EPC) and superconductivity of C$_{2}$CaC$_{2}$ are investigated based on first-principles calculations. The EPC of C$_{2}$CaC$_{2}$ mainly comes from the coupling between the electrons of C-$p_{z}$ orbital and the high- and low-frequency vibration modes of C atoms. The calculated EPC constant $\lambda$ of C$_{2}$CaC$_{2}$ is 0.75, and the superconducting $T_{c}$ is 18.9 K, which is much higher than other metal-intercalated bilayer graphenes. By further applying -4\% biaxial compressive strain to C$_{2}$CaC$_{2}$, the $T_{c}$ can be boosted to 26.6 K. Thus, the predicted C$_{2}$CaC$_{2}$ provides a new platform for realizing superconductivity with the highest $T_{c}$ in bilayer graphenes.

cond-mat.supr-con↗

arXiv2022

Phonon-mediated superconductivity in two-dimensional hydrogenated phosphorus carbide: HPC$_{3}$

In the recent years, three-dimensional (3D) high-temperature superconductors at ultrahigh pressure have been reported, typical examples are the polyhydrides H$_{3}$S, LaH$_{10}$, and YH$_{9}$, etc. To find high-temperature superconductors in two-dimensional (2D) at atmosphere pressure is another research hotspot. Here, we investigated the possible superconductivity in a hydrogenated monolayer phosphorus carbide based on first-principles calculations. The results reveal that monolayer PC$_{3}$ transforms from a semiconductor to a metal after hydrogenation. Interestingly, the C-$π$-bonding band contributes most to the states at the Fermi level. Based on the electron-phonon coupling mechanism, it is found that the electron-phonon coupling constant of HPC$_{3}$ is 0.95, which mainly origins from the coupling of C-$π$ electrons with the in-plane vibration modes of C and H. The calculated critical temperature $T_{c}$ is 31.0 K, which is higher than most of the 2D superconductors. By further applying biaxial tensile strain of 3$\%$, the $T_{c}$ can be boosted to 57.3 K, exceeding the McMillan limit. Thus, hydrogenation and strain are effective ways for increasing the superconducting $T_{c}$ of 2D materials.

cond-mat.supr-con↗