arXiv subjects

Xiuhua Chen

Publications and source records attributed to Xiuhua Chen.

3 recordsLinked to original sources

arXiv2026

Many-Body Amplification of Ligand Instabilities Driving Verwey-Type Transitions in Altermagnet CsCr$_2$S$_2$O

Altermagnet CsCr$_2$S$_2$O undergoes a Verwey-type metal-to-insulator transition (MIT), accompanied by a lattice distortion and stripe charge order on the Cr sublattice. Intriguingly, the atomic distortions occur exclusively at the ligand sites rather than the Cr sites, leaving the origin of the pronounced Cr charge disproportionation unresolved. Using density functional theory plus dynamical mean-field theory (DFT+DMFT) calculations, we identify an orbital-selective Mott state in which the correlated metallic $d_{yz}$ orbital governs the low-energy physics. We show that S-site distortions produces only a small bare charge asymmetry between the Cr sublattices through Cr-$d_{yz}$--S-$p$ hybridization. Dynamical electronic correlations, however, dramatically amplify this asymmetry, producing pronounced differentiation in both the charge occupancy and correlation strength of the $d_{yz}$ orbitals. The resulting site-dependent spin polarization ultimately drives the MIT. In contrast, replacing S with Te substantially weakens this correlation-amplification effect and preserves a metallic state. Our work reveals a hidden, correlation-amplified feedback loop between ligand instabilities and electronic symmetry breaking in this altermagnetic family, highlighting ligand engineering as an effective route toward robust metallic altermagnetism.

cond-mat.str-el↗

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↗

arXiv2024

Large band-splitting in $g$-wave type altermagnet CrSb

Altermagnetism (AM), a newly discovered magnetic state, ingeniously integrates the properties of ferromagnetism and antiferromagnetism, representing a significant breakthrough in the field of magnetic materials. Despite experimental verification of some typical AM materials, such as MnTe and MnTe$_2$, the pursuit of AM materials that feature larger spin splitting and higher transition temperature is still essential. Here, our research focuses on CrSb, which possesses N{é}el temperature of up to 700K and giant spin splitting near the Fermi level ($E_F$). Utilizing high-resolution angle-resolved photoemission spectroscopy and density functional theory calculations, we meticulously map the three-dimensional electronic structure of CrSb. Our photoemission spectroscopic results on both (0001) and (10$\overline{1}$0) cleavages of CrSb collaboratively reveal unprecedented details on AM-induced band splitting, and subsequently pin down its unique bulk $g$-wave symmetry through quantitative analysis of the angular and photon-energy dependence of spin splitting. Moreover, the observed spin splitting reaches the magnitude of 0.93~eV near $E_F$, the most substantial among all confirmed AM materials. This study not only validates the nature of CrSb as a prototype $g$-wave like AM material but also underscores its pivotal role in pioneering applications in spintronics.

cond-mat.mtrl-sci↗