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Dongzhe Li

Publications and source records attributed to Dongzhe Li.

At least 19 recordsLinked to original sources

LimiX-2: A Contextual Mechanism Network Towards General Structured-Data Intelligence

We introduce LimiX-2, a new model in the LimiX family, developed through model and data scaling guided by our previously established scaling laws. LimiX-2 adopts the Contextual Mechanism Networks (CMNs) paradigm and is pretrained with Context-Conditional Masked Modeling (CCMM). CMNs shifts the organizing principle of in-context learning from target-centric prediction to mechanism-oriented joint modeling. Rather than centering the network on the $p(y \mid x, D_{\mathrm{context}})$ objective of conventional tabular PFNs, it is designed around learning $p(x, y \mid D_{\mathrm{context}})$, a context-dependent representation of the joint structure underlying data generation. Pretraining uses synthetic datasets generated by structural causal models (SCMs) spanning diverse graph structures, functional mechanisms, and observation processes. Evaluations on TabArena, TALENT, and BCCO show that LimiX-2 outperforms current dataset-specific models and tabular foundation models. Beyond predictive performance, the CMN paradigm also promotes causal awareness in LimiX-2: its feature attention encodes direct causal relationships, enabling accurate causal skeleton recovery.

cs.AI

Beating micromagnetic limits on skyrmion stability by long-range frustration

Skyrmion stability is commonly assumed to scale with skyrmion size or exchange stiffness within micromagnetic models. Here, we demonstrate that long-range exchange frustration can break this paradigm, enhancing the collapse energy barrier without increasing skyrmion size or magnetic energy scale. By mapping the continuum model onto a spin-lattice Hamiltonian, we find that skyrmions with identical micromagnetic parameters can exhibit significantly different energy barriers, depending on their underlying atomistic exchange interactions. We attribute this behavior to saddle point textures, whose pronounced noncollinearity captures long-range frustration beyond the micromagnetic approximation. We further develop an exchange optimization framework to predict that long-range frustration can double the energy barrier in physically realistic conditions, possibly valid for ultrathin films or van der Waals magnets. These results hold across different lattice symmetries, revealing an intrinsic limitation of micromagnetics and establishing long-range frustration engineering as a promising route toward highly stable nanoscale skyrmions.

cond-mat.mes-hall

Lifetime of bimerons and antibimerons in two-dimensional magnets

Soliton-based computing architectures have recently emerged as a promising avenue to overcome fundamental limitations of conventional information technologies, the von Neumann bottleneck. In this context, magnetic skyrmions have been widely considered for in-situ processing devices due to their mobility and enhanced lifetime in materials with broken inversion symmetry. However, modern applications in non-volatile reservoir or neuromorphic computing raise the additional demand for non-linear inter-soliton interactions. Here, we report that solitons in easy-plane magnets, such as bimerons and antibimerons, show greater versatility and potential for non-linear interactions than skyrmions and antiskyrmions, making them superior candidates for this class of applications. Using first-principles and transition state theory, we predict the coexistence of degenerate bimerons and antibimerons at zero field in a van der Waals heterostructure Fe$_3$GeTe$_2$/Cr$_2$Ge$_2$Te$_6$ -- an experimentally feasible system. We demonstrate that, owing to their distinct structural symmetry, bimerons exhibit fundamentally different behavior from skyrmions and cannot be regarded as their in-plane counterparts, as is often assumed. This distinction leads to unique properties of bimerons and antibimerons, which arise from the unbroken rotational symmetry in easy-plane magnets. These range from anisotropic soliton-soliton interactions to strong entropic effects on their lifetime, driven by the non-local nature of thermal excitations. Our findings reveal a broader richness of solitons in easy-plane magnets and underline their unique potential for spintronic devices.

cond-mat.mes-hall

Strongly enhanced lifetime of higher-order bimerons and antibimerons

Magnetic bimerons, similar to skyrmions, are topologically nontrivial spin textures characterized by topological charge $Q$. Most studies so far have focused on low-$Q$ solitons ($|Q| \leq 1$), such as skyrmions, bimerons, and vortices. Here, we present the first calculations of the lifetimes of {ring-like} high-$Q$ bimerons and demonstrate that they are fundamentally more stable than high-$Q$ skyrmions over a wide range of temperature. To obtain realistic results, our chosen system is an experimentally feasible van der Waals interface, Fe$_3$GeTe$_2$/Cr$_2$Ge$_2$Te$_6$. We show that the lifetimes of high-$Q$ (anti)bimerons can exceed the lifetime of those with $|Q|=1$ by 3 orders of magnitude. Remarkably, this trend remains valid even when extrapolated to room temperature (RT), as the lifetimes are dominated by entropy rather than energy barriers. This contrasts with high-$Q$ skyrmions, whose lifetimes fall with $|Q|$ near RT. We attribute this fundamental difference between skyrmions and bimerons to their distinct magnetic texture symmetries, which lead to different entropy-dominated lifetimes.

cond-mat.mes-hall

Extended saddle points govern long-lived antiskyrmions

Achieving long-lived nanoscale magnetic solitons remains a central challenge, as their lifetimes typically decrease rapidly with temperature. Here, we demonstrate that anisotropic Dzyaloshinskii-Moriya interaction (aDMI) enables spatially extended saddle points (SPs) that fundamentally alter thermally activated decay. In contrast to conventional localized SPs, these extended configurations completely suppress the entropic contribution to the activation rate, rendering the lifetimes effectively temperature independent. To establish this mechanism, we develop a first-principles method based on spin spirals to compute DMI beyond the isotropic approximation, resolving its full directional dependence for arbitrary nearest neighbors. We apply this method to oxidized Fe$_3$GeTe$_2$ (FGT-O), an experimentally accessible van der Waals magnet. Oxygen adsorption simultaneously breaks inversion symmetry and lowers the in-plane crystalline symmetry, thereby generating a sizable aDMI. We demonstrate that aDMI stabilizes nanoscale antiskyrmions with energy barriers exceeding 120 meV at low external magnetic fields. Crucially, extended SPs enhance the lifetime in FGT-O by more than five orders of magnitude at room temperature compared to conventional ultrathin-film skyrmion systems. We further show that aDMI is not the only route to such extended SPs and identify the general conditions under which they emerge, establishing a general route to soliton decay pathways with temperature-independent prefactors. Our results uncover a new paradigm for enhancing soliton stability through transition-state geometry rather than energy-barrier height.

cond-mat.mes-hall

Emergence of multiple topological spin textures in an all-magnetic van der Waals heterostructure

Magnetic solitons such as skyrmions and bimerons show great promise for both fundamental research and spintronic applications. Stabilizing and controlling topological spin textures in atomically thin van der Waals (vdW) materials has gained tremendous attention due to high tunability, enhanced functionality, and miniaturization. Here, we present an efficient spin-spiral approach based on first-principles, a method for mapping magnetic interactions from collective models onto arbitrary lattice symmetries, such as hexagonal and honeycomb lattices. Using atomistic spin models parametrized from first-principles, we predict the emergence of multiple topological spin textures in an all-magnetic vdW heterostructure Fe$_3$GeTe$_2$/Cr$_2$Ge$_2$Te$_6$ (FGT/CGT) -- an experimentally feasible system. Interestingly, the FGT layer favors out-of-plane magnetization, whereas the CGT layer prefers in-plane magnetocrystalline anisotropy. Néel-type nanoscale skyrmions are formed at zero field in the FGT layer due to interfacial Dzyaloshinskii-Moriya interaction (DMI), while nanoscale bimerons and antibimerons can co-exist in the CGT layer by the interplay between exchange frustration and DMI. Using the collective approach we apply, we reveal significant discretization effects in hexagonal and honeycomb geometries. In particular, we demonstrate that the lifting of geometric exchange frustration on the honeycomb significantly affects soliton barriers and pinning energetics. These fundamental results not only highlight the importance of spin simulations in discrete models for topological magnetism, especially in 2D materials, but may also help to pave the way for solitonic devices based on atomically thin vdW heterostructures.

cond-mat.mtrl-sci

No Vision, No Wearables: 5G-based 2D Human Pose Recognition with Integrated Sensing and Communications

With the increasing maturity of contactless human pose recognition (HPR) technology, indoor interactive applications have raised higher demands for natural, controller-free interaction methods. However, current mainstream HPR solutions relying on vision or radio-frequency (RF) (including WiFi, radar) still face various challenges in practical deployment, such as privacy concerns, susceptibility to occlusion, dedicated equipment and functions, and limited sensing resolution and range. 5G-based integrated sensing and communication (ISAC) technology, by merging communication and sensing functions, offers a new approach to address these challenges in contactless HPR. We propose a practical 5G-based ISAC system capable of inferring 2D HPR from uplink sounding reference signals (SRS). Specifically, rich features are extracted from multiple domains and employ an encoder to achieve unified alignment and representation in a latent space. Subsequently, low-dimensional features are fused to output the human pose state. Experimental results demonstrate that in typical indoor environments, our proposed 5G-based ISAC HPR system significantly outperforms current mainstream baseline solutions in HPR performance, providing a solid technical foundation for universal human-computer interaction.

eess.SP

LimiX: Unleashing Structured-Data Modeling Capability for Generalist Intelligence

We argue that progress toward general intelligence requires complementary foundation models grounded in language, the physical world, and structured data. This report presents LimiX-16M and LimiX-2M, two instantiations of our large structured-data models (LDMs). Both models treat structured data as a joint distribution over variables and missingness, thus capable of addressing a wide range of tabular tasks through query-based conditional prediction via a single model. They are pretrained using masked joint-distribution modeling with an episodic, context-conditional objective, supporting rapid, training-free adaptation at inference. We evaluate LimiX models across 11 large structured-data benchmarks with broad regimes of sample size, feature dimensionality, class number, categorical-to-numerical feature ratio, missingness, and sample-to-feature ratios. LimiX-16M consistently surpasses strong baselines, as shown in Figure 1 and Figure 2. The superiority holds across a wide range of tasks, such as classification, regression, missing value imputation, and data generation, often by substantial margins, while avoiding task-specific architectures or bespoke training per task. Notably, LimiX-2M delivers strong results under tight compute and memory budgets. We also present the first scaling law study for LDMs, revealing how data and model scaling jointly influence downstream performance and offering quantitative guidance for tabular foundation modeling. All LimiX models are publicly accessible under Apache 2.0.

cs.LG

AI Pangaea: Unifying Intelligence Islands for Adapting Myriad Tasks

The pursuit of artificial general intelligence continuously demands generalization in one model across myriad tasks, even those not seen before. However, current AI models are isolated from each other for being limited to specific tasks, now first defined as Intelligence Islands. To unify Intelligence Islands into one, we propose Pangaea, the first AI supercontinent akin to the geological Pangaea. Pangaea encodes any data into a unified format and accumulates universal knowledge through pre-training on 296 datasets across diverse modalities. Eventually, it demonstrates remarkable generalization across 45 general tasks and 15 scientific tasks encompassing a wide range of scientific subjects. By investigating Pangaea deeper, the scaling effect of modality is revealed, quantifying the universal knowledge accumulation across modalities as the cumulative distribution function of a geometric distribution. On the whole, Pangaea shows strong potential to handle myriad tasks, indicating a new direction toward artificial general intelligence.

cs.AI

A new skyrmion topological transition driven by higher-order exchange interactions in Janus MnSeTe

Two-dimensional (2D) van der Waals magnets offer a promising platform for pushing skyrmion technology to the single-layer limit with high tunability. While Dzyaloshinskii-Moriya interaction (DMI) is often recognized as central to skyrmion formation, their stability, collapse, and topological transition in 2D materials remain largely unexplored. In particular, the effect of higher-order exchange interactions (HOI) on these phenomena is unknown. Here, using first-principles calculations and atomistic spin simulations, we report a new topological transition generated by HOI, which we term 'ferric transition', in single-layer MnSeTe. Surprisingly, skyrmion stability and collapse remain largely unaffected by HOI due to the dominant role of DMI near the saddle point, whereas the Bloch point is strongly modified, giving rise to this novel transition. This mechanism is fundamentally distinct from the well-known radial and chimera transitions. Moreover, we predict that Janus MnSeTe exhibits remarkably high skyrmion energy barriers due to its strong DMI, among the highest reported for intrinsic 2D magnets. Our findings unveil an unexpected role of HOI in skyrmion topological transitions and establish Janus MnSeTe as a robust platform for 2D skyrmionics.

cond-mat.mes-hall

Long lifetimes of nanoscale skyrmions in lithium-decorated van der Waals ferromagnet Fe$_3$GeTe$_2$

The Dzyaloshinskii-Moriya interaction (DMI), which originates from spin-orbit coupling and relies on broken inversion symmetry, is recognized as a key ingredient in forming magnetic skyrmions. However, most 2D magnets exhibit inversion symmetry; therefore, the DMI is suppressed. Here, we propose a strategy to induce large DMI via lithium absorption on the surface of 2D magnets -- an experimentally feasible approach. Using first-principles and atomistic spin simulations, we predict the formation of nanoscale skyrmions in lithium-decorated monolayer Fe$_3$GeTe$_2$ by imposing small out-of-plane magnetic fields ($B_z$). Notably, we find very large skyrmion energy barriers of more than 300 meV at $B_z = 0.4$ T, comparable to those observed in ferromagnet/heavy-metal interfaces. The origin of these unique skyrmions is attributed to the competition between strong DMI, exchange frustration, and small magnetocrystalline anisotropy energy. We further show that the lifetimes of metastable skyrmions exceed one hour for temperatures up to 75 K.

cond-mat.mtrl-sci

Prediction of stable nanoscale skyrmions in monolayer Fe$_5$GeTe$_2$

Using first-principles calculations and atomistic spin simulations, we predict stable isolated skyrmions with a diameter below 10 nm in a monolayer of the two-dimensional van der Waals ferromagnet Fe$_5$GeTe$_2$, a material of significant experimental interest. A very large Dzyaloshinskii-Moriya interaction (DMI) is observed due to the intrinsic broken inversion symmetry and strong spin-orbit coupling for monolayer Fe$_5$GeTe$_2$. We show that the nearest-neighbor approximation, often used in literature, fails to describe the DMI. The strong DMI together with moderate in-plane magnetocrystalline anisotropy energy allows to stabilize nanoscale skyrmions in out-of-plane magnetic fields above $\approx 2$~T. The energy barriers of skyrmions in monolayer Fe$_5$GeTe$_2$ are comparable to those of state-of-the-art transition-metal ultra-thin films. We further predict that these nanoscale skyrmions can be stable for hours at temperatures up to 20 K.

cond-mat.mtrl-sci

Proposal for all-electrical skyrmion detection in van der Waals tunnel junctions

A major challenge for magnetic skyrmions in atomically thin van der Waals (vdW) materials is reliable skyrmion detection. Here, based on rigorous first-principles calculations, we show that all-electrical skyrmion detection is feasible in 2D vdW magnets via scanning tunneling microscopy (STM) and in planar tunnel junctions. We use the nonequilibrium Green's function method for quantum transport in planar junctions, including self-energy due to electrodes and working conditions, going beyond the standard Tersoff-Hamann approximation. We obtain a very large tunneling anisotropic magnetoresistance (TAMR) around the Fermi energy for a vdW tunnel junction based on graphite/Fe$_3$GeTe$_2$/germanene/graphite. For atomic-scale skyrmions the noncollinear magnetoresistance (NCMR) reaches giant values. We trace the origin of the NCMR to spin-mixing between spin-up and -down states of $p_z$ and $d_{z^2}$ character at the surface atoms. Both TAMR and NCMR are drastically enhanced in tunnel junctions with respect to STM geometry due to orbital symmetry matching at the interface.

cond-mat.mtrl-sci

Tuning the magnetic interactions in van der Waals Fe$_3$GeTe$_2$ heterostructures: A comparative study of \textit{ab initio} methods

We investigate the impact of mechanical strain, stacking order, and external electric fields on the magnetic interactions of a two-dimensional (2D) van der Waals (vdW) heterostructure in which a 2D ferromagnetic metallic Fe$_3$GeTe$_2$ monolayer is deposited on germanene. Three distinct computational approaches based on \textit{ab initio} methods are used, and a careful comparison is given: (i) The Green's function method, (ii) the generalized Bloch theorem, and (iii) the supercell approach. First, the shell-resolved exchange constants are calculated for the three Fe atoms within the unit cell of the freestanding Fe$_3$GeTe$_2$ monolayer. We find that the results between methods (i) and (ii) are in good qualitative agreement and also with previously reported values. An electric field of ${\cal E}= \pm 0.5$~V/Å applied perpendicular to the Fe$_3$GeTe$_2$/germanene heterostructure leads to significant changes of the exchange constants. We show that the Dzyaloshinskii-Moriya interaction (DMI) in Fe$_3$GeTe$_2$/germanene is mainly dominated by the nearest neighbors, resulting in a good quantitative agreement between methods (i) and (ii). Furthermore, we demonstrate that the DMI is highly tunable by strain, stacking, and electric field, leading to a large DMI comparable to that of ferromagnetic/heavy metal (FM/HM) interfaces. The geometrical change and hybridization effect explain the origin of the high tunability of the DMI at the interface. The electric-field driven DMI obtained by method (iii) is in qualitative agreement with the more accurate \textit{ab initio} method used in approach (ii). However, the field-effect on the DMI is overestimated by method (iii) by about 50\%. The magnetocrystalline anisotropy energy can also be drastically changed by the application of compressive or tensile strain in the Fe$_3$GeTe$_2$/germanene heterostructure.

cond-mat.mtrl-sci

Strain-Driven Zero-Field Near-10 nm Skyrmions in Two-Dimensional van der Waals Heterostructures

Magnetic skyrmions $-$ localized chiral spin structures $-$ show great promise for spintronic applications. The recent discovery of two-dimensional (2D) magnetic materials opened new opportunities for exploring such topological spin structures in atomically thin van der Waals (vdW) materials. Despite recent progress in stabilizing metastable skyrmions in 2D magnets, their diameters are still beyond 100~nm and their lifetime, which is essential for applications, has not been explored yet. Here, using first-principles calculations and atomistic spin simulations, we predict that compressive mechanical strain leads to stabilizing zero-field skyrmions with diameters close to 10 nm in a Fe$_3$GeTe$_2$/germanene vdW heterostructure. The origin of these unique skyrmions is attributed to the high tunability of Dzyaloshinskii-Moriya interaction and magnetocrystalline anisotropy energy by strain, an effect which is shown to be general for Fe$_3$GeTe$_2$ heterostructures with buckled substrates. Based on our first-principles parameters for the magnetic interactions, we calculate the energy barriers protecting skyrmions against annihilation and their lifetimes using transition-state theory. We show that nanoscale skyrmions in strained Fe$_3$GeTe$_2$/germanene can be stable for hours at temperatures up to 20 K.

cond-mat.mtrl-sci

Negative Differential Resistance in Spin-Crossover Molecular Devices

We demonstrate, based on low-temperature scanning tunneling microscopy (STM) and spectroscopy, a pronounced negative differential resistance (NDR) in spin-crossover (SCO) molecular devices, where a Fe$^{\text{II}}$ SCO molecule is deposited on surfaces. The STM measurements reveal that the NDR is robust with respect to substrate materials, temperature, and the number of SCO layers. This indicates that the NDR is intrinsically related to the electronic structure of the SCO molecule. Experimental results are supported by density functional theory (DFT) with non-equilibrium Green's functions (NEGF) calculations and a generic theoretical model. While the DFT+NEGF calculations reproduce NDR for a special atomically-sharp STM tip, the effect is attributed to the energy-dependent tip density of states rather than the molecule itself. We, therefore, propose a Coulomb blockade model involving three molecular orbitals with very different spatial localization as suggested by the molecular electronic structure.

cond-mat.mes-hall

Proposal for all-electrical spin manipulation and detection for a single molecule on boron-substituted graphene

All-electrical writing and reading of spin states attract considerable attention for their promising applications in energy-efficient spintronics devices. Here we show, based on rigorous first-principles calculations, that the spin properties can be manipulated and detected in molecular spinterfaces, where an iron tetraphenyl porphyrin (FeTPP) molecule is deposited on boron-substituted graphene (B-G). Notably, a reversible spin switching between the $S=1$ and $S=3/2$ states is achieved by a gate electrode. We can trace the origin to a strong hybridization between the Fe-$d_{{z}^2}$ and B-$p_z$ orbitals. Combining density functional theory with nonequilibrium Green's function formalism, we propose an experimentally feasible 3-terminal setup to probe the spin state. Furthermore, we show how the in-plane quantum transport for the B-G, which is non-spin polarized, can be modified by FeTPP, yielding a significant transport spin polarization near the Fermi energy ($>10\%$ for typical coverage). Our work paves the way to realize all-electrical spintronics devices using molecular spinterfaces.

cond-mat.mes-hall

Current shot noise in atomic contacts: Fe and FeH$_2$ between Au electrodes

Single Fe atoms on Au(111) surfaces were hydrogenated and dehydrogenated with the Au tip of a low-temperature scanning tunneling microscope (STM). Fe and FeH$_2$ were contacted with the tip of the microscope and show distinctly different evolutions of the conductance with the tip-substrate distance. The current shot noise of these contacts has been measured and indicates a single relevant conductance channel with the spin-polarized transmission. For FeH$_2$ the spin polarization reaches values up to 80\% for low conductances and is reduced if the tip-surface distance is decreased. These observations are partially reproduced using density functional theory (DFT) based transport calculations. We suggest that the quantum motion of the hydrogen atoms, which is not taken into account in our DFT modeling, may have a significant effect on the results.

cond-mat.mes-hall