arXiv subjects

Xueliang Wu

Publications and source records attributed to Xueliang Wu.

11 recordsLinked to original sources

arXiv2026

Multiple Topological States in LaAgAs2, a Failed Square-Net Semimetal

The rational design of new materials emerges as an important direction to explore new topological materials, which is based on the understanding of the correlation between crystal and electronic structures. In this paper, we perform a comprehensive study on the crystal and electronic structures in LaAgAs2 through a combination of single-crystal x-ray diffraction (XRD), quantum oscillation, and angle-resolved photoemission spectroscopy (ARPES) experimental measurements, and density functional theory (DFT) calculations. Single-crystal XRD measurements reveal that LaAgAs2 crystallizes into a HfCuSi2-derived structure with the square net distorted into cis-trans chains. Quantum oscillation measurements reveal two frequencies with small effective masses and quasi-two-dimensional (2D) characters. ARPES measurements reveal an electronic structure strikingly different from the square-net-based semimetals, such as LaAgAs2. The Fermi surface is quasi-two-dimensional (2D), with Dirac-like hole pockets at the zone center and a quasi-1D elliptical electron pocket at the zone boundary. Based on the DFT calculations, the measured electronic structure can be well understood regarding the cis-trans distortion, which transforms the two-dimensional square net-derived Dirac bands into quasi-1D trivial bands. Intriguingly, multiple topological states can be identified around the zone center, including a nontrivial Z2 topological surface state and a bulk Dirac state. Our study clarifies the impact of cis-trans distortion and identifies LaAgAs2 as a topological material with multiple topological states near the Fermi level, providing a guideline for intentionally designing new topological materials.

cond-mat.mtrl-sci↗

arXiv2025

Single crystal growth, structural and physical properties, and absence of a charge density wave in Ti_{0.85}Fe6Ge6

Kagome materials with charge density waves (CDWs) are fascinating quantum systems, offering an ideal platform to explore intertwined orders and to uncover novel mechanisms behind CDW formation. Chemical models have been developed and applied to predict CDW in $AM_6X_6$-type kagome materials, such as the rattling chain model based on ScV6Sn6 and the magnetic energy-saving model based on FeGe. In this study, we successfully synthesized Ti_{0.85}Fe6Ge6 single crystals using the vapor transport method. As predicted by the rattling chain model, these crystals are expected to exhibit kagome CDW behavior. Magnetization measurements indicate that Ti_{0.85}Fe6Ge6 is an easy-axis antiferromagnet with T_N = 488 K and transport measurements reveal metallic behavior primarily driven by electron-type carriers. However, no clear signatures of a CDW were observed in Ti_{0.85}Fe6Ge6. Density functional theory calculations demonstrate a markedly distinct electronic structure compared to related compounds: instead of a carrier-doping-induced rigid shift, the density of states shifted away from the Fermi level. Consistent with our structural investigations, the absence of a CDW and the unusual band structure can be attributed to the bonding characteristic within Ti_{0.85}Fe6Ge6. The strong covalent bonds of Ti-Ge1b, along with the solid Ge1b-Ge1b dimers, prevent the Ti-Ge1b-Ge1b-Ti chain from rattling. The presence of Fe-Fe antibonding state at the Fermi level enhances the spin polarization and depletes the electronic density around the Fermi level. Our results suggest that both the ionic radius and the bonding characteristics of the filler atom are crucial for the formation of CDWs in kagome materials. These factors can serve as supplementary terms to the rattling chain model, providing new insights for the discovery of novel kagome CDW materials.

cond-mat.mtrl-sci↗

arXiv2025

Time-domain decoding of unconventional charge order mechanisms in nonmagnetic and magnetic kagome metals

In kagome lattice materials, quantum interplay between charge, spin, orbital, and lattice degrees of freedom gives rise to a remarkably rich set of emergent phenomena, ranging from unconventional charge order and superconductivity to topological magnetism. While the exact nature of these exotic orders is often challenging to comprehend in static experiments, time-resolved techniques can offer critical insights by disentangling coupled degrees of freedom on the time-axis. In this work, we demonstrate that the nature of charge orders in two representative kagome metals - nonmagnetic ScV6Sn6 and magnetic FeGe - which has been highly controversial in static studies, can be directly deciphered in the time-domain through their fundamentally distinct order parameter dynamics measured via time-resolved X-ray scattering at an X-ray free electron laser. In nonmagnetic ScV6Sn6, the dynamics are characterized by ultrafast melting and coherent amplitudon oscillations, typical of a phonon-coupled charge order. In stark contrast, magnetic FeGe exhibits resilient metastable charge order dynamics, hitherto unobserved in any other charge-ordered system - this unique time-domain behavior directly signifies an unconventional magnetism-interlocked charge order state realized in this kagome magnet. Our results not only provide a model case where unconventional nature of electronic order, hidden in equilibrium, is directly unraveled in the time-domain, but also pave the way for future out-of-equilibrium engineering of novel quantum orders in kagome lattice platforms.

cond-mat.str-el↗

arXiv2024

Instability of the charge density wave in Kagome magnet FeGe

Kagome metals show rich competing quantum phases due to geometry frustration, flat bands, many-body effects, and non-trivial topology. Recently, a novel charge density wave (CDW) was discovered deep inside the antiferromagnetic phase of FeGe, attracting intense attention due to close relation with magnetism. Here, via a scanning tunneling microscope (STM), we find the 2*2 CDW in FeGe is very fragile and can be readily disrupted into the initial 1*1 phase; Small sqrt3*sqrt3 CDW puddles are found to coexist with the 2*2 CDW in as-grown samples, and can also be induced in the intermediate process of CDW disruption, which will eventually transform into the initial 1*1 phase. Moreover, an exotic intermediate CDW state and standalone CDW nuclei appear unexpectedly during the disruption process. Our first-principle calculations find equal softening of a flat optical phonon mode in a large momentum region around the CDW wave vector, corresponding to numerous competing CDWs with close energies. This might lead to strong instability of the CDW ground state, responsible for STM observations. Our findings provide more novel experimental aspects to understand the CDW in FeGe and suggest FeGe-like Kagome metals are ideal platforms for studying the physics of competing CDW instabilities.

cond-mat.str-el↗

arXiv2024

Discovery of a long-ranged charge order with 1/4 Ge1-dimerization in an antiferromagnetic Kagome metal

Exotic quantum states arise from the interplay of various degrees of freedom such as charge, spin, orbital, and lattice. Recently, a novel short-ranged charge order (CO) was discovered deep inside the antiferromagnetic phase of Kagome magnet FeGe, exhibiting close relationships with magnetism. Despite extensive investigations, the CO mechanism remains controversial, mainly because the short-ranged behavior hinders precise identification of CO superstructure. Here, combining multiple experimental techniques, we report the observation of a long-ranged CO in high-quality FeGe samples, which is accompanied with a first-order structural transition. With these high-quality samples, the distorted 2 * 2 * 2 CO superstructure is characterized by a strong dimerization along the c-axis of 1/4 of Ge1-sites in Fe3Ge layers, and in response to that, the 2 * 2 in-plane charge modulations are induced. Moreover, we show that the previously reported short-ranged CO might be related to large occupational disorders at Ge1-site, which upsets the equilibrium of the CO state and the ideal 1 * 1 * 1 structure with very close energies, inducing nanoscale coexistence of these two phases.Our study provides crucial clues for further understanding the CO properties in FeGe and helps to identify the CO mechanism.

cond-mat.str-el↗

arXiv2024

Optimization of noncollinear magnetic ordering temperature in Y-type hexaferrite by machine learning

Searching the optimal doping compositions of the Y-type hexaferrite Ba2Mg2Fe12O22 remains a long-standing challenge for enhanced non-collinear magnetic transition temperature (TNC). Instead of the conventional trial-and-error approach, the composition-property descriptor is established via a data driven machine learning method named SISSO (sure independence screening and sparsifying operator). Based on the chosen efficient and physically interpretable descriptor, a series of Y-type hexaferrite compositions are predicted to hold high TNC, among which the BaSrMg0.28Co1.72Fe10Al2O22 is then experimentally validated. Test results indicate that, under appropriate external magnetic field conditions, the TNC of this composition reaches up to reaches up to 568 K, and its magnetic transition temperature is also elevated to 735 K. This work offers a machine learning-based route to develop room temperature single phase multiferroics for device applications.

cond-mat.mtrl-sci↗

arXiv2024

Annealing-tunable charge density wave in the kagome antiferromagnet FeGe

The unprecedented phenomenon that a charge density wave (CDW) emerges inside the antiferromagnetic (AFM) phase indicates an unusual CDW mechanism associated with magnetism in FeGe. Here, we demonstrate that both the CDW and magnetism of FeGe can be effectively tuned through post-growth annealing treatments. Instead of the short-range CDW reported earlier, a long-range CDW order is realized below 110 K in single crystals annealed at \SI{320}{\degreeCelsius} for over 48 h. The CDW and AFM transition temperatures appear to be inversely correlated with each other. The entrance of the CDW phase significantly reduces the critical field of the spin-flop transition, whereas the CDW transition remains stable against minor variations in magnetic orders such as annealing-induced magnetic clusters and spin-canting transitions. Single-crystal x-ray diffraction measurements reveal substantial disorder on the Ge1 site, which is characterized by displacement of the Ge1 atom from Fe$_3$Ge layer along the $c$ axis and can be reversibly modified by the annealing process. The observed annealing-tunable CDW and magnetic orders can be well understood in terms of disorder on the Ge1 site. Our study provides a vital starting point for the exploration of the unconventional CDW mechanism in FeGe and of kagome materials in general.

cond-mat.str-el↗

arXiv2024

Evidence for Unfolded Fermi Surfaces in the Charge-Density-Wave State of Kagome Metal FeGe Revealed by de Haas-van Alphen Effect

The antiferromagnetic kagome lattice compound FeGe has been revealed to host an emergent charge-density-wave (CDW) state which manifests complex interplay between the spin, charge and lattice degrees of freedom. Here, we present a comprehensive study of the de Haas-van Alphen effect by measuring torque magnetometry under magnetic fields up to 45.2 T to map Fermi surfaces in this unusual CDW state. For field along the $c$ direction, we resolve four cyclotron orbits; the largest one roughly corresponding to the area of the 2$\times$2 folded Brillouin zone. Three smaller orbits are characterized by light effective cyclotron masses range from (0.18-0.30) $m_e$. Angle-resolved measurements identify one Fermi surface segment with weak anisotropy. Combined with band structure calculations, our results suggest that features of unfolded Fermi surfaces are robust against CDW reconstruction, corroborating the novel effect of a short-ranged CDW on the electronic structure.

cond-mat.str-el↗

arXiv2023

Coexistence of Dirac fermion and charge density wave in square-net-based semimetal LaAuSb2

We report a comprehensive study of magnetotransport properties, angle-resolved photoemission spectroscopy (ARPES), and density functional theory (DFT) calculations on self-flux grown LaAuSb$_2$ single crystals. Resistivity and Hall measurements reveal a charge density wave (CDW) transition at 77 K. MR and de Haas-Van Alphen (dHvA) measurements indicate that the transport properties of LaAuSb$_2$ are dominated by Dirac fermions that arise from Sb square nets. ARPES measurements and DFT calculations reveal an electronic structure with a common feature of the square-net-based topological semimetals, which is in good agreement with the magnetotransport properties. Our results indicate the coexistence of CDW and Dirac fermion in LaAuSb$_2$, both of which are linked to the bands arising from the Sb-square net, suggesting that the square net could serve as a structural motif to explore various electronic orders.

cond-mat.mtrl-sci↗

arXiv2023

Photoemission Evidence of a Novel Charge Order in Kagome Metal FeGe

A charge order has been discovered to emerge deep into the antiferromagnetic phase of the kagome metal FeGe. To study its origin, the evolution of the low-lying electronic structure across the charge order phase transition is investigated with angle-resolved photoemission spectroscopy. We do not find signatures of nesting between Fermi surface sections or van-Hove singularities in zero-frequency joint density of states, and there are no obvious energy gaps at the Fermi level, which exclude the nesting mechanism for the charge order formation in FeGe. However, two obvious changes in the band structure have been detected, i.e., one electron-like band around the K point and another one around the A point move upward in energy position when the charge order forms. These features can be well reproduced by our density-functional theory calculations, where the charge order is primarily driven by magnetic energy saving via large dimerizations of a quarter of Ge1-sites (in the kagome plane) along the c-axis. Our results provide strong support for this novel charge order formation mechanism in FeGe, in contrast to the conventional nesting mechanism.

cond-mat.str-el↗

arXiv2022

Comparison of skyrmion phases between poly and single-crystal MnSi by composite magnetoelectric method

We have explored the skyrmion phases and phase diagram of poly and single-crystal MnSi by the measurements of the magnetoelectric coefficient alfaE and ac magnetic susceptibility of the MnSi/PMN-PT composite. We found that the regular skyrmion lattice phase in single crystal sample has been averaged in the MnSi polycrystal due to random grain orientations which results in an extended skyrmion lattice-conical mixture phase down to 25 K. The magnitude of the out-of-phase component in alfaE of the polycrystal, not single crystal, decreases gradually with decreasing frequency. With the changing of the driven ac field, it reveals a depinning threshold behavior in both samples. The depinning field is stronger in the polycrystal than that in single crystal and maybe responsible for the diminishing of dissipative behavior at lower frequency due to grain boundaries and defects. The composite magnetoelectric method provides a unique approach to probe topological phase dynamics.

cond-mat.mtrl-sci↗