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Weiwei Xie

Publications and source records attributed to Weiwei Xie.

At least 19 recordsLinked to original sources
arXiv2026

Anomalous Compressibility and Electronic Robustness of Metallic Delafossite PdCoO$_2$ under Pressure

The layered delafossite PdCoO$_2$ is an exceptional oxide metal whose ultrahigh conductivity arises from a Pd-derived nearly-free-electron band. Here, high-pressure single-crystal X-ray diffraction combined with first-principles calculations is used to investigate its structural, bonding, and electronic evolution up to 10 GPa. PdCoO$_2$ retains the rhombohedral R-3m structure throughout the investigated pressure range, with no structural phase transition. The lattice exhibits an unusual anisotropic compression, with the in-plane a-axis contracting more strongly than the stacking c-axis, opposite to the behavior of most layered materials. Despite this anomalous compressibility, only minor changes are observed in the local Pd-O and Co-O coordination environments, indicating a remarkably rigid bonding framework. Crystal orbital Hamilton population analysis reveals only subtle strengthening of the existing bonding interactions, without the emergence of destabilizing Pd-related antibonding states. Consistent with these findings, the Pd-derived metallic band and quasi-two-dimensional Fermi surface remain essentially unchanged under compression. Boltzmann transport calculations further show that the in-plane conductivity is nearly pressure-independent, whereas the out-of-plane conductivity decreases modestly, resulting in a slight increase in transport anisotropy. These results demonstrate that the anomalous compressibility of PdCoO$_2$ originates from its robust chemical bonding network, which preserves both the crystal structure and the highly conductive Pd-derived metallic state under pressure.

cond-mat.mtrl-sci↗
arXiv2026

Notes on remanent magnetization measurements in superconductors and hard ferromagnets

Data on zero applied field measurements of remanent magnetization and magnetic relaxation in a BCS superconductor LuNi2B2C and several hard ferromagnets are presented and compared. Apparent similarities and differences, in particular in Thermoremanent Magnetization (TRM) - like, Isothermal Remanent Magnetization (IRM) - like, and remanent magnetization measurements with zigzag temperature sweep measurements are outlined. It is discussed how these results could be relevant for the magnetization measurements in diamond anvil cells.

cond-mat.mtrl-sci↗
arXiv2026

Site Preferences and "Coloring Problem" in Cu-doped BiMn$_7$O$_{12}$ Quadruple Perovskite

Lightly Cu-doped BiMn$_7$O$_{12}$ (x = 0.05, 0.10, and 0.15) was investigated using high-pressure synthesis, single-crystal X-ray diffraction, pair distribution function (PDF) analysis, STEM, magnetic measurements, and first-principles calculations. All compositions retain an average monoclinic $I$2/$m$ structure, while Cu substitution progressively suppresses the monoclinic distortion and drives the lattice toward a pseudo-cubic metric symmetry. PDF analysis reveals increasing local structural disorder and reduced medium-range coherence with increasing Cu concentration, despite preservation of the overall quadruple-perovskite framework. Single-crystal refinements indicate enhanced electron density at the octahedral Mn B sites, suggesting preferential Cu occupation within the MnO$_6$ network rather than the conventional square-planar sites expected for Cu$^{2+}$. Magnetic measurements reveal two characteristic anomalies near $T_1$ ~ 100-120 K and $T_2$ ~ 50-60 K, together with pronounced magnetic irreversibility, field-dependent hysteresis, and unsaturated magnetization. Increasing Cu concentration progressively suppresses the low-temperature magnetic state and weakens the field-induced moment. First-principles calculations favor Cu occupation at the square-planar sites, contrasting with the experimental refinements and highlighting strong competitions among local bonding, short-range disorder, and metastability in this highly frustrated quadruple perovskite system.

cond-mat.mtrl-sci↗
arXiv2026

Extending the La Solubility Limit in Sr$_3$Ir$_2$O$_7$ through High-Pressure High-Temperature Synthesis

La-doped bilayer iridates provide an important platform for studying the evolution of the spin-orbit-assisted Mott state under electron doping, but the La solubility achieved by conventional ambient-pressure synthesis is limited. Here, we report the synthesis and physical properties of nominally La-doped (Sr$_{1-x}$La$_x$)$_3$Ir$_2$O$_7$ (x = 0.05, 0.10, 0.15, and 0.20) prepared using high-pressure high-temperature techniques. Single-crystal X-ray diffraction refinements, supported by scanning electron microscopy-energy-dispersive X-ray spectroscopy (SEM-EDX), reveal significantly enhanced La incorporation, with nominal x = 0.05 and 0.15 corresponding to actual compositions of approximately (Sr$_{0.89}$La$_{0.11}$)$_3$Ir$_2$O$_7$ and (Sr$_{0.77}$La$_{0.23}$)$_3$Ir$_2$O$_7$, respectively. At nominal x = 0.20, the bilayer phase is no longer stabilized and instead transforms into cubic perovskite Sr$_{1-x}$La$_x$IrO$_3$. (Sr$_{0.89}$La$_{0.11}$)$_3$Ir$_2$O$_7$ exhibits a ferromagnetic-like transition near 186 K accompanied by magnetic hysteresis and subtle lattice anomalies indicative of spin-lattice coupling. Despite its high electron-doping level, the compound remains strongly insulating, consistent with a heavily doped localized magnetic insulating state distinct from both parent Sr$_3$Ir$_2$O$_7$ and ambient-pressure La-doped samples. In contrast, (Sr$_{0.77}$La$_{0.23}$)$_3$Ir$_2$O$_7$ displays metal-like electronic behavior, weakened magnetic order, and enhanced carrier delocalization, although disorder-driven localization persists at low temperatures. These results demonstrate that high-pressure synthesis substantially extends the accessible doping range of bilayer iridates and reveals electronic and magnetic states inaccessible through conventional synthesis routes.

cond-mat.mtrl-sci↗
arXiv2026

Superconductivity in the high-pressure tetragonal phase of UTe2

Electrical transport and magnetic measurements have been made on UTe2 under pressure P up to approximately 16 GPa to determine the superconducting transition temperature Tc vs P phase diagram in the high-pressure tetragonal phase. Superconductivity emerges near 5 GPa, coincident with the orthorhombic to tetragonal phase transition; in the tetragonal phase, Tc reaches a maximum value of approximately 4 K at 6 GPa and then decreases with P and appears to vanish near 18 GPa. Tetragonal UTe2 has a relatively small upper critical field Hc2(0) $\approx$ 1.2 T at 5.3 GPa, smaller than the Pauli paramagnetic limit, and is orbitally limited with a coherence length $\xi$tetra $\approx$ 16.5 nm. This small value of Hc2(0) favors more conventional superconductivity; in contrast, the large values of Hc2(T) for orthorhombic UTe2 exceed the Pauli paramagnetic limit in all three crystallographic directions and have been attributed to unconventional superconductivity, widely believed to involve spin-triplet pairing. The temperature-pressure phase diagram of UTe2 shows a striking dichotomy: a narrow, fragile, unconventional superconducting region in the orthorhombic phase vs a broad, robust, and more conventional superconducting dome in the tetragonal phase. This dichotomy is consistent with the proposal that U-dimers, present (absent) in the orthorhombic (tetragonal) phase, may play a role in spin-triplet superconductivity of orthorhombic UTe2. In the tetragonal phase, the normal-state electrical resistivity $\rho$(T) exhibits metallic behavior with a knee between 200 and 240 K that depends weakly on P and most likely marks the onset of a transition to a magnetically ordered phase that coexists with superconductivity.

cond-mat.supr-con↗
arXiv2026

Impact of Cu-Mn ratio on Structure and Defects in Layered Multiferroic Cu1-xMn1+ySiTe3

Multiferroic materials exhibit the coexistence of magnetic and ferroelectric order, enabling control of magnetism through electric fields and vice versa. These properties make them attractive for spintronic and memory device applications. Recent studies on Cu1-xMn1+ySiTe3 (0.04 \leq x \leq 0.26; 0.03 \leq y \leq 0.15) have revealed strong magnetoelectric coupling, with variations in Mn-to-Cu concentration leading to variations in optical, electronic, and magnetic responses. Despite these findings, the influence of nanoscale structure and defects on the observed properties remains poorly understood. In this study, we investigate the structure and nanoscale defects in Cu-deficient Cu1-xMn1+ySiTe3 (Cu:Mn ratio <1, i.e., with 0.04 \leq x \leq 0.26 and 0.03 \leq y \leq 0.15) and Cu-rich Cu1+xMn1-ySiTe3 (Cu:Mn ratio >1, i.e., with 0.04 \leq x \leq 0.3 and 0.13 \leq y \leq 0.31) crystals using scanning/transmission electron microscopy and single-crystal X-ray diffraction. Cu-deficient crystals exhibit extensive stacking faults correlated with chemical inhomogeneity between Mn and Cu, along with variations in Te stacking. In contrast, Cu-rich crystals show fewer stacking faults but contain other local structural variations, such as needle-shaped precipitates and loop-like features. These distinct local structural features between Cu-rich and Cu-deficient crystals can be correlated to variations in their observed properties. Complementary density functional theory calculations confirm that the Cu-rich structure is more polar than the Cu-deficient structure. Overall, this study provides a comprehensive understanding of how subtle changes in chemistry influence the nanoscale structure, defect distribution, and functional properties in Cu1-xMn1+ySiTe3, offering guidance for designing multiferroic materials with tailored performance.

cond-mat.mtrl-sci↗
arXiv2026

Compressibility and High-Pressure Structure of CaMg$_2$Bi$_2$ and YbMg$_2$Bi$_2$

Compounds with the formula $AM_2X_2$ in the CaAl$_2$Si$_2$ structure type have garnered increasing interest across various solid-state research domains, such as quantum topological and thermoelectric materials. Prior studies have identified high-pressure phase transitions in several compounds, including Mg$_3$Sb$_2$, Mg$_3$Bi$_2$, CaMn$_2$Bi$_2$, and SrAl$_2$Si$_2$. In this study, we investigate the structural behavior of CaMg$_2$Bi$_2$ and YbMg$_2$Bi$_2$ under varying pressure conditions. We synthesized crystals using the molten metal flux method and examined them through single-crystal synchrotron X-ray diffraction, employing diamond anvil cells to exert pressures up to 20 GPa. Our analysis reveals insights into the anisotropic compressibility of these materials, highlighting the more compressible and flexible octahedral $A$-Bi bonds as the primary contributors to this anisotropy. Moreover, we observed a phase transition in both CaMg$_2$Bi$_2$ and YbMg$_2$Bi$_2$ at pressures above 9.6 GPa and 8.7 GPa, respectively. The newly identified high-pressure phase exhibits a distortion of the original CaAl$_2$Si$_2$ structure with space group $C2/m$. This high-pressure structure is distinct from that of related compounds (e.g., CaMn$_2$Bi$_2$, MgMg$_2$Bi$_2$), the latter exhibiting a square pyramidal coordination for the $M$ site.

cond-mat.mtrl-sci↗
arXiv2026

Defect Control via Cu Enrichment Enhances Multifunctional Properties in the Polar Semiconductor Cu1+xMn1-ySiTe3

Polar materials have recently attracted significant interest due to their rich multifunctional properties. The chalcogenide polar semiconductor Cu1-xMn1+ySiTe3 (Cu-deficient) is an emerging multiferroic system in which electric polarization is coupled to magnetization. However, its macroscopic ferroelectric polarization is strongly suppressed due to the presence of a high density of stacking faults. In this work, we demonstrate that these crystal defects, likely originating from non-stoichiometry, can be substantially reduced by increasing the Cu content. Cu-enriched samples, Cu1+xMn1-ySiTe3, crystallize in a noncentrosymmetric monoclinic structure (space group Pm) as the Cu-deficient counterpart but show a nearly stacking-fault-free phase, which is attributed to the emergence of an interstitial site. Consequently, the Cu-enriched samples show a pronounced enhancement of the second-harmonic generation (SHG) response compared to Cu-deficient compositions. Magnetically, the Cu-enriched crystals retain long-range antiferromagnetic order with a Neel temperature of TN ~ 33 K without a glassy state but manifest a distinct spin-flop transition along the polar b-axis that is absent in the Cu-deficient compositions. Furthermore, the electronic ground state evolves from insulating to doped semiconducting behavior upon Cu enrichment. Together, these results establish this material system as a unique and versatile platform for elucidating the interplay among composition, crystal defects, and multifunctional properties, offering a route to design magnetic polar systems with tunable quantum functionalities.

cond-mat.mtrl-sci↗
arXiv2026

Scalable Learning in Structured Recurrent Spiking Neural Networks without Backpropagation

Spiking Neural Networks (SNNs) provide a promising framework for energy-efficient and biologically grounded computation; however, scalable learning in deep recurrent architectures with sparse connectivity remains a major challenge. In this work, we propose a structured multi-layer recurrent SNN architecture composed of locally dense recurrent layers augmented with sparse small-world long-range projections to a readout population. The long-range connectivity is largely fixed, preserving routing efficiency and hardware scalability, while synaptic adaptation is performed using strictly local plasticity mechanisms. To enable supervised learning without backpropagation or surrogate gradients, we introduce a biologically motivated learning framework that combines: (i) population-based winner-take-all (WTA) teaching signals at the output layer, (ii) fixed random broadcast alignment feedback pathways, and (iii) low-dimensional modulatory neuron populations that gate synaptic updates through three-factor learning rules with eligibility traces. This design supports deep recurrent computation with sparse global communication and purely local synaptic updates. We analyze the algorithmic properties, computational complexity, and hardware feasibility of the proposed approach, and demonstrate stable learning and competitive performance on benchmark classification tasks. The results highlight the potential of structured recurrence and neuromodulatory learning to enable scalable, hardware-compatible SNN training beyond gradient-based methods.

cs.NE↗
arXiv2026

Experimental investigation of altermagnetic order in Cr-doped FeSb2

Altermagnets are a class of materials with compensated magnetic moments, in which spin sublattices are related by specific rotational symmetries other than inversion or translation. This allows time-reversal symmetry to be broken without a net magnetization. Cr-doped FeSb2 has been theoretically proposed as a candidate d-wave altermagnetic system, yet its magnetic ground state has remained unresolved. Here, we synthesize single crystals of Fe1-xCrxSb2 and investigate their electrical transport and magnetic properties, with a focus on Fe0.85Cr0.15Sb2. Magnetization measurements suggest spin-compensated ordering below ~3.5 K, where magnetic moments align along the crystallographic b-direction. Transport measurements reveal a crossover from large positive to negative magnetoresistance, while an anomalous Hall response emerges below 5 K, indicating time-reversal symmetry breaking. Muon spin relaxation measurements confirm that the magnetic ordering below 3.5 K is bulk in nature. The absence of coherent oscillations in zero-field {\mu}SR spectra and of magnetic Bragg intensity in single-crystal neutron diffraction establishes that the magnetically ordered state is short-range or disordered, rather than collinear altermagnetic order. These results demonstrate that Cr-doping alone breaks time-reversal symmetry without stabilizing long-range altermagnetic order in FeSb2.

cond-mat.mtrl-sci↗
arXiv2026

Chirality Transfer to the Magnetic Sublattice in the Hybrid Perovskite (R)-/(S)-3-Fluoropyrrolidinium Copper(II) Chloride

Incorporating chiral organic cations into organic-inorganic hybrid materials has been shown to enable the inorganic sublattice to display chiroptical properties. We report a new two-dimensional magnetic ($S=1/2$) chiral metal halide perovskite, (R)- and (S)-$(C_4H_9FN)_2CuCl_4$ (where $(C_4H_9FN)^+$ is 3-fluoropyrrolidinium), which consists of Cu-Cl inorganic layers separated by $(C_4H_9FN)^+$ organic cations. The presence of the chiral $(C_4H_9FN)^+$ organic cation induces formation of chiral magnetic order, even though the inorganic sublattice itself is nearly structurally centrosymmetric. We also report the racemic variant, containing an equal amount of (R)- and (S)- cations, which shows no evidence of chiral magnetic order. When the magnetic susceptibility is measured perpendicular to inorganic Cu-Cl layer propagation direction, an antiferromagnetic phase transition at N\'eel temperature $T_N = 2.23~K$ is observed in both the chiral and racemic materials, and the existence of the magnetic phase transition is supported by specific heat capacity measurements. Field-induced magnetic chirality is observed through the existence of a second-order magnetoelectric effect in the chiral variant, while no magnetoelectric signal is observed for the racemic material, indicating the absence of magnetic chirality. Our findings demonstrate that materials exhibiting chiral magnetic order can be created through the incorporation of a chiral cation into an organic-inorganic hybrid magnetic material, potentially allowing for the design of tailored materials that combine chiral magnetism with other desirable optical and electronic properties that come from structural chirality.

cond-mat.mtrl-sci↗
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

MemEvoBench: Benchmarking Safety Risks from Memory Misevolution in LLM Agents

Equipping Large Language Models (LLMs) with persistent memory enhances interaction continuity and personalization but introduces new safety risks. Specifically, contaminated or biased memory accumulation can trigger abnormal agent behaviors. Existing evaluation methods have not yet established a standardized framework for measuring memory misevolution. This phenomenon refers to the gradual behavioral drift resulting from repeated exposure to misleading information. To address this gap, we introduce MemEvoBench, the first benchmark evaluating long-horizon memory safety in LLM agents against adversarial memory injection, noisy tool outputs, and biased feedback. The framework consists of QA-style tasks across 7 domains and 36 risk types, complemented by workflow-style tasks adapted from 20 Agent-SafetyBench environments with noisy tool returns. Both settings employ mixed benign and misleading memory pools within multi-round interactions to simulate memory evolution. Experiments on representative models reveal substantial safety degradation under biased memory updates. Our analysis suggests that memory evolution is a significant contributor to these failures. Furthermore, static prompt-based defenses prove insufficient, underscoring the urgency of securing memory evolution in LLM agents.

cs.CL↗
arXiv2026

Coexistence of ferromagnetism and ferroelectricity in the van der Waals multiferroic CuIn0.2V0.8P2S6

Two-dimensional (2D) van der Waals (vdW) multiferroics have emerged as a promising platform for next-generation multifunctional devices. Although recent studies have demonstrated that artificial heterostructures can combine dual ferroic orders and exhibit strong magnetoelectric coupling, their performance is sometimes limited by poor interface quality and inadequate long-term stability. By contrast, the realization of intrinsic single-phase materials with coexisting ferromagnetism and ferroelectricity remains a longstanding challenge in the field. Here we report the realization of a single-phase 2D vdW multiferroic system, CuIn0.2V0.8P2S6, which exhibits both ferromagnetism and room-temperature ferroelectricity. The intrinsic ferroelectric nature of CuIn0.2V0.8P2S6 was probed using ferroelectric tunnel junctions, which exhibit a large tunneling electroresistance with an ON/OFF ratio of 107 at 295 K. CuIn0.2V0.8P2S6 develops ferromagnetic ordering with the Curie temperature (TC) of 14.6 K, as evidenced by pronounced magnetic hysteresis and a relatively large remanent magnetization. Notably, the appearance of a magnetodielectric response below TC is consistent with the anticipated interplay between the ferromagnetic and ferroelectric orders. These results highlight a promising route toward single-phase van der Waals multiferroics with coexisting ferroic orders.

cond-mat.mtrl-sci↗
arXiv2026

Observation of Iso-Symmetric Structural and Lifshitz Transitions in Quasi-one-dimensional CrNbSe$_5$

Chalcogenides-rich transition metal compounds host a rich landscape of emergent quantum phenomena that are intimately governed by their quasi-one-dimensional chemical-bonding frameworks and their response to external perturbations such as pressure. Here, we report a pressure-induced iso-symmetric structural transition in the quasi-one-dimensional compound CrNbSe$_5$, in which the electronic ground state is controlled not by symmetry breaking but by a continuous reorganization of local bonding interactions. Applied pressure reversibly tunes CrNbSe$_5$ between semiconducting and semimetallic states, enabling access to low- and high-carrier electronic regimes through direct modulation of metal-chalcogen bonding. High-pressure single-crystal X-ray diffraction directly resolves the evolution of Cr-Se and Nb-Se bond distances, coordination polyhedra, and connectivity, revealing a fully reversible semimetal-semiconductor-semimetal transition driven by gradual yet cooperative bond rearrangements within a preserved crystallographic symmetry. In contrast to chemical substitution, which irreversibly alters composition and introduces disorder, pressure acts as a clean, continuous control parameter that reshapes the bonding landscape without disrupting structural symmetry. These results establish CrNbSe$_5$ as a model system for electronically driven phase switching via tunable chemical bonding, highlighting iso-symmetric bond reorganization as a powerful design principle for pressure-controlled electronic and spintronic functionalities.

cond-mat.mtrl-sci↗
arXiv2026

Pressure-Induced Chemical Bonding Effects on Lattice and Magnetic Instabilities in Antiferromagnetic Insulating CaMn$_2$Sb$_2$

Exotic quantum phenomena often emerge near an electronic delocalization transition (EDT) from an antiferromagnetic insulating phase to a strongly correlated metallic state under pressure. We report the pressure-induced structural and magnetic evolution of the antiferromagnetic insulator CaMn$_2$Sb$_2$. Single-crystal X-ray diffraction reveals a first-order phase transition near 5.4 GPa from a trigonal P-3m1 structure to a monoclinic P2$_1$/m phase, accompanied by a ~7% volume collapse. Residual electron density analysis at intermediate pressures reveals charge localization along Mn-Sb chains, signaling electronic instability preceding the structural transition. Bonding analysis indicates anisotropic Mn-Sb orbital reconfiguration under pressure, driving a distorted square-pyramidal geometry. Neutron scattering confirms the transition and identifies a pressure-induced incommensurate magnetic order, distinct from the ambient antiferromagnetic state. In the monoclinic phase, zigzag Mn chains exhibit antiferromagnetic coupling along the ac-plane, enabled by enhanced orbital overlap. These results establish CaMn$_2$Sb$_2$ as a model system for studying the coupling of structural distortion, charge redistribution, and magnetic order in layered Mn pnictides under pressure.

cond-mat.str-el↗
arXiv2026

Pressure-Stabilized MnSb$_2$ with Complex Incommensurate Magnetic Order

Marcasite-type compounds have been proposed as promising hosts of exotic magnetic quantum states, yet experimental realizations in stoichiometric, disorder-free systems remain limited. Here, we report the high-pressure stabilization and magnetic characterization of MnSb$_2$, a marcasite-type compound that is thermodynamically metastable under ambient pressure. Single crystals were synthesized using a cubic multi-anvil press, and powder and single-crystal X-ray diffraction confirm the orthorhombic $Pnnm$ structure. These crystals are stable at ambient pressure for a long time up to between 450-500 K. Heat-capacity measurements reveal phase transitions at approximately 220 K and 118 K. Neutron diffraction uncovers an unconventional magnetic ground state below 220 K. Magnetic powder neutron diffraction refinements reveal possible multiple magnetic configurations that provide comparably acceptable fits to the experimental data. While most solutions are consistent with a spin-density-wave (SDW) description, helical models systematically yield inferior agreement factors. Across a broad range of models, the Mn ordered moment reaches a maximum value of approximately 2 $\mu_B$ and remains predominantly collinear, with minimal canting along the $c$-axis. At 200 K, the magnetic propagation vector is $q$ = (0, 0.3975, 0.3783); upon cooling, the $b$ component increases toward 0.5, reflecting a temperature-dependent evolution of the modulation. The need for modification of the magnetic model between high and low temperatures further highlights the complex and strongly temperature-dependent nature of the magnetic order in this system. These results establish MnSb$_2$ as a pressure-stabilized marcasite magnet with a highly tunable, complex magnetic ground state and a compelling stoichiometric platform for exploring unconventional magnetic behavior, including potential altermagnetism.

cond-mat.str-el↗
arXiv2026

Pressure-Induced Structural and Magnetic Evolution in Layered Antiferromagnet YbMn$_2$Sb$_2$

Electronic states under pressure exhibit unconventional spin and charge dynamics that provide a powerful route to uncover exotic phases in quantum materials. Here, we present the structural, magnetic, and electronic evolution of YbMn$_2$Sb$_2$ under pressure. Single-crystal X-ray diffraction reveals a pressure-induced structural transition from the space group trigonal $P\bar{3}m1$ to the monoclinic $P2_1$/$m$ phase near 3.5 GPa, which remains stable up to 10 GPa. Magnetization measurements display an anomalously weak net magnetic moment and the absence of Curie-Weiss behavior up to 400 K, suggesting the formation of short-range Mn moment pairs that cancel macroscopically and subsequently evolve into long-range order upon cooling. Temperature-dependent resistivity shows semiconducting behavior with a transition at ~119 K at ambient pressure, while pressure induces a dramatic suppression of resistance and the emergence of metallic-like temperature dependence, stabilized beyond 5 GPa. This pressure-driven semiconductor-metal transition is consistent with our density functional theory calculations, confirming the closing of the band gap under compression. Neutron diffraction under pressure identifies an incommensurate magnetic structure with antiparallel correlations between paired spins. Together, these results demonstrate how pressure-driven structural tuning and competing exchange interactions stabilize unconventional magnetic states in this low-dimensional magnetic semiconductor.

cond-mat.mtrl-sci↗