arXiv subjects

Yunwei Zhang

Publications and source records attributed to Yunwei Zhang.

At least 19 recordsLinked to original sources

arXiv2026

ABot-3DWorld 0: A Universal World Model to Explore Any 3D Space

We present ABot-3DWorld 0, a universal multimodal 3D world model that turns text, image, and video inputs into high-fidelity, explorable 3D worlds. At the heart of our framework is a unified Spatial Generative Primitive (SGP), a compact tuple of a high-quality panorama and a spatial point cloud that delivers an efficient description of any 3D space. Multimodal inputs are first lifted into this primitive; a 3D-consistent panoramic video generator then explores the primitive along a planned trajectory; finally, our panoramic video reconstruction engine converts the generated video into a clean, photorealistic 3D Gaussian Splatting (3DGS) world. This pipeline covers two regimes: rich inputs (multi-view sets, casual video) are lifted into the SGP through a geometry-rigorous recovery that mirrors the observed scene, while a single image or sentence is completed generatively into a creative world. The result is one low-barrier engine for general 3D content creation that further anchors generated worlds to geographic points of interest, enabling map-native spatial exploration at consumer scale. Experiments show that ABot-3DWorld 0 sets the state of the art among open-source methods and demonstrates stronger scene fidelity than Marble under rich multimodal inputs.

cs.CV↗

arXiv2025

Exotic Surface Stripe Orders in Correlated Kagome Metal CsCr3Sb5

The newly discovered kagome superconductor CsCr3Sb5 exhibits distinct features with flat bands and unique magnetism, providing a compelling platform for exploring novel quantum states of correlated electron systems. Emergent charge order in this material is a key for understanding unconventional superconductivity, but it remains unexplored at the atomic scale and the underlying physics is elusive. Here, we identify and unreported stripe orders on the surface which are distinct from the bulk and investigate the underlying bulk electronic properties using a combination of scanning tunneling microscopy (STM), angle-resolved photoemission spectroscopy (ARPES) and density functional theory (DFT) calculations. Specifically, a mixture of 2a0 * a0 and 3a0 * a0 stripe order is found on Cs-terminated surface while 4a0 * root3a0 stripe order is found on the Sb-terminated surface. The electronic spectra exhibit strongly correlated features resembling that of high temperature superconductors, with kagome flat bands lying about 330 meV above EF, suggesting that the electron correlations arise from Coulomb interactions and Hund's coupling. Moreover, a distinct electron-boson coupling mode is observed at approximately 100 meV. These findings provide new insights into the interplay between surface and bulk charge orders in this strongly correlated kagome system.

cond-mat.str-el↗

arXiv2025

Enhanced Stability and Linearly Polarized Emission from CsPbI$_3$ Perovskite Nanoplatelets through A-site Cation Engineering

The anisotropy of perovskite nanoplatelets (PeNPLs) opens up many opportunities in optoelectronics, including enabling the emission of linearly polarized light. But the limited stability of PeNPLs is a pressing challenge, especially for red-emitting CsPbI$_3$. Herein, we address this limitation by alloying FA into the perovskite cuboctahedral site. Unlike Cs/FA alloying in bulk thin films or nonconfined nanocubes, FA incorporation in nanoplatelets requires meticulous control over the reaction conditions, given that nanoplatelets are obtained in kinetically-driven growth regimes instead of thermodynamically-driven conditions. Through in-situ photoluminescence (PL) measurements, we find that excess FA leads to uncontrolled growth, where phase-impurities and nanoplatelets of multiple thicknesses co-exist. Restricting the FA content to up to 25% Cs substitution enables monodisperse PeNPLs, and increases the PL quantum yield (from 53% to 61%), exciton lifetime (from 18 ns to 27 ns), and stability in ambient air (from ~2 days to >7 days) compared to CsPbI$_3$. This arises due to hydrogen bonding between FA and the oleate and oleylammonium ligands, anchoring them to the surface to improve optoelectronic properties and stability. The reduction in non-radiative recombination, improvement in the nanoplatelet aspect ratio, and higher ligand density lead to FA-containing PeNPLs more effectively forming edge-up superlattices, enhancing the PL degree of linear polarization from 5.1% (CsPbI$_3$) to 9.4% (Cs$_{0.75}$FA$_{0.25}$PbI$_3$). These fundamental insights show how the stability limitations of PeNPLs could be addressed, and these materials grown more precisely to improve their performance as polarized light emitters, critical for utilizing them in next-generation display, bioimaging and communications applications.

cond-mat.mtrl-sci↗

arXiv2025

Theoretical Investigation of High-Tc Superconductivity in Sr-Doped La$_3$Ni$_2$O$_7$ at Ambient Pressure

The recent discovery of pressure-induced superconductivity in La$_3$Ni$_2$O$_7$ has established a novel platform for studying unconventional superconductors. However, achieving superconductivity in this system currently requires relatively high pressures. In this study, we propose a chemical pressure strategy via Sr substitution to stabilize high-Tc superconductivity in La$_3$Ni$_2$O$_7$ under ambient conditions.Using density functional theory (DFT) calculations, we systematically investigate the structural and electronic properties of Sr-doped La$_{3-x}$Sr$_x$Ni$_2$O$_7$ (x = 0.25, 0.5, 1) at ambient pressure and identify two dynamically stable phases:La$_{2.5}$Sr$_{0.5}$Ni$_2$O$_7$ and La$_2$SrNi$_2$O$_7$.Our calculations reveal that both phases exhibit metallization of the $\sigma$-bonding bands dominated by Ni-d$_{z^{2}}$ orbitals-a key feature associated with high-Tc superconductivity, as reported in the high-pressure phase of La$_3$Ni$_2$O$_7$. Further analysis using tight-binding models shows that the key hopping parameters in La$_{2.5}$Sr$_{0.5}$Ni$_2$O$_7$ and La$_2$SrNi$_2$O$_7$ closely resemble those of La$_3$Ni$_2$O$_7$ under high pressure, indicating that strong super-exchange interactions between interlayer Ni-d$_{z^{2}}$ orbitals are preserved. These findings suggest that Sr-doped La$_3$Ni$_2$O$_7$ is a promising candidate for realizing high-Tcsuperconductivity at ambient pressure.

cond-mat.supr-con↗

arXiv2024

A new approach to N-doped di-molybdenum carbide with enhanced superconductivity via Urea

Chemical doping is a critical factor in the development of new superconductors or optimizing the superconducting transition temperature (Tc) of the parent superconducting materials. Herein, a new simple urea approach is developed to synthesize the N-doped alfa-Mo2C. Benefiting from the simple urea method, a broad superconducting dome is found in the Mo2C1-xNx compositions. XRD results show that the structure of alfa-Mo2C remains unchanged and that there is a variation of lattice parameters with nitrogen doping. Resistivity, magnetic susceptibility, and heat capacity measurement results confirm that the superconducting transition temperature (Tc) was strongly increased from 2.68 K (x = 0) to 7.05 K (x = 0.49). First-principles calculations and our analysis indicate that increasing nitrogen doping leads to a rise in the density of states at the Fermi level and doping-induced phonon softening, which enhances electron-phonon coupling. This results in an increase in Tc and a sharp rise in the upper critical field. Our findings provide a promising strategy for fabricating transition metal carbonitrides and provide a material platform for further study of the superconductivity of transition metal carbides.

cond-mat.supr-con↗

arXiv2024

MatterGPT: A Generative Transformer for Multi-Property Inverse Design of Solid-State Materials

Inverse design of solid-state materials with desired properties represents a formidable challenge in materials science. Although recent generative models have demonstrated potential, their adoption has been hindered by limitations such as inefficiency, architectural constraints and restricted open-source availability. The representation of crystal structures using the SLICES (Simplified Line-Input Crystal-Encoding System) notation as a string of characters enables the use of state-of-the-art natural language processing models, such as Transformers, for crystal design. Drawing inspiration from the success of GPT models in generating coherent text, we trained a generative Transformer on the next-token prediction task to generate solid-state materials with targeted properties. We demonstrate MatterGPT's capability to generate de novo crystal structures with targeted single properties, including both lattice-insensitive (formation energy) and lattice-sensitive (band gap) properties. Furthermore, we extend MatterGPT to simultaneously target multiple properties, addressing the complex challenge of multi-objective inverse design of crystals. Our approach showcases high validity, uniqueness, and novelty in generated structures, as well as the ability to generate materials with properties beyond the training data distribution. This work represents a significant step forward in computational materials discovery, offering a powerful and open tool for designing materials with tailored properties for various applications in energy, electronics, and beyond.

cond-mat.mtrl-sci↗

arXiv2024

Pixel-Wise Symbol Spotting via Progressive Points Location for Parsing CAD Images

Parsing Computer-Aided Design (CAD) drawings is a fundamental step for CAD revision, semantic-based management, and the generation of 3D prototypes in both the architecture and engineering industries. Labeling symbols from a CAD drawing is a challenging yet notorious task from a practical point of view. In this work, we propose to label and spot symbols from CAD images that are converted from CAD drawings. The advantage of spotting symbols from CAD images lies in the low requirement of labelers and the low-cost annotation. However, pixel-wise spotting symbols from CAD images is challenging work. We propose a pixel-wise point location via Progressive Gaussian Kernels (PGK) to balance between training efficiency and location accuracy. Besides, we introduce a local offset to the heatmap-based point location method. Based on the keypoints detection, we propose a symbol grouping method to redraw the rectangle symbols in CAD images. We have released a dataset containing CAD images of equipment rooms from telecommunication industrial CAD drawings. Extensive experiments on this real-world dataset show that the proposed method has good generalization ability.

cs.CV↗

arXiv2024

Extending the Defect Tolerance of Halide Perovskite Nanocrystals to Hot Carrier Cooling Dynamics

Defect tolerance is a critical enabling factor for efficient lead-halide perovskite materials, but the current understanding is primarily on band-edge (cold) carriers, with significant debate over whether hot carriers (HCs) can also exhibit defect tolerance. Here, this important gap in the field is addressed by investigating how internationally-introduced traps affect HC relaxation in CsPbX3 nanocrystals (X = Br, I, or mixture). Using femtosecond interband and intraband spectroscopy, along with energy-dependent photoluminescence measurements and kinetic modelling, it is found that HCs are not universally defect tolerant in CsPbX3, but are strongly correlated to the defect tolerance of cold carriers, requiring shallow traps to be present (as in CsPbI3). It is found that HCs are directly captured by traps, instead of going through an intermediate cold carrier, and deeper traps cause faster HC cooling, reducing the effects of the hot phonon bottleneck and Auger reheating. This work provides important insights into how defects influence HCs, which will be important for designing materials for hot carrier solar cells, multiexciton generation, and optical gain media.

physics.app-ph↗

arXiv2024

The de Haas-van Alphen quantum oscillations in the kagome metal RbTi3Bi5

Kagome system usually attracts great interest in condensed matter physics due to its unique structure hosting various exotic states such as superconductivity (SC), charge density wave (CDW), and nontrivial topological states. Topological semimetal RbTi3Bi5 consisting of the kagome layer of Ti shares a similar crystal structure to topological correlated materials AV3Sb5 (A = K, Rb, Cs) but with the absence of CDW and SC. Systematic de Haas-van Alphen (dHvA) oscillation measurements are performed on the single crystals of RbTi3Bi5 to pursue nontrivial topological physics and exotic states. Combining with theoretical calculations, detailed Fermi surface topology and band structure are investigated. A two-dimensional (2D) Fermi pocket \b{eta} is revealed with a light-effective mass in consistent with the semimetal predictions. Landau Fan of RbTi3Bi5 reveals a zero Berry phase for the \b{eta} oscillation in contrast to that of CsTi3Bi5. These results suggest the kagome RbTi3Bi5 is a good candidate to explore nontrivial topological exotic states and topological correlated physics.

cond-mat.str-el↗

arXiv2023

Anisotropic magnetism and electronic properties of the kagome metal SmV6Sn6

Kagome magnets are expected to feature emergent properties due to the interplays among geometry, magnetism, electronic correlation, and band topology. The magnetism and topological electronic states can be tuned via the rare earth engineering in RV6Sn6 kagome metals, where R is a rare earth element. Herein, we present the synthesis and characterization of SmV6Sn6, a metal with two-dimensional kagome nets of vanadium and frustrated triangular Sm lattice. Partial of the Sm atoms are shifted from the normal R positions by c/2 along the c axis. Magnetic measurements reveal obvious anisotropy, where the easy magnetic axis is within the ab plane. Electronic transports show multiband behaviors below 200 K. Density functional theory calculations find that the electronic structure of SmV6Sn6 hosts flat bands, Dirac cone, and saddle point arising from the V-3d electrons near the Fermi level. No evidence for the existence of charge density wave or magnetic order down to 2 K can be observed. Thus, SmV6Sn6 can be viewed as a modest disordered derivative of the RV6Sn6 structure, in which the disordered rare earth ions can suppress the magnetic order and charge density wave in the RV6Sn6 kagome family.

cond-mat.str-el↗

arXiv2022

Crystal and electronic structure of a quasi-two-dimensional semiconductor Mg$_3$Si$_2$Te$_6$

We report the synthesis and characterization of a Si-based ternary semiconductor Mg$_3$Si$_2$Te$_6$, which exhibits a quasi-two-dimensional structure, where the trigonal Mg$_2$Si$_2$Te$_6$ layers are separated by Mg ions. Ultraviolet-visible absorption spectroscopy and density functional theory calculations were performed to investigate the electronic structure. The experimentally determined direct band gap is 1.39 eV, consistent with the value of the density function theory calculations. Our results reveal that Mg$_3$Si$_2$Te$_6$ is a direct gap semiconductor with a relatively narrow gap, which is a potential candidate for infrared optoelectronic devices.

cond-mat.mtrl-sci↗

arXiv2022

Exchange field enhanced upper critical field of the superconductivity in compressed antiferromagnetic EuTe2

We report high pressure studies on the C-type antiferromagnetic semiconductor EuTe2 up to 36.0 GPa. A structural transition from the I4/mcm to C2/m space group is identified at ~16 GPa. Superconductivity is discovered above ~5 GPa in both the I4/mcm and C2/m space groups. In the low-pressure phase (< 16 GPa), the antiferromagnetic transition temperature is enhanced with increasing pressure due to the enhanced magnetic exchange interactions. Magnetoresistance measurements indicate an interplay between the local moments of Eu2+ and the conduction electrons of Te 5p orbits. The upper critical field of the superconductivity is well above the Pauli limit. Across the structural transition to the high-pressure phase (> 16 GPa), EuTe2 becomes nonmagnetic and the superconducting transition temperature evolves smoothly with the upper critical field below the Pauli limit. Therefore, the high upper critical field of EuTe2 in the low-pressure phase is due to the exchange field compensation effect of the Eu magnetic order and the superconductivity in both structures may arise in the framework of the BCS theory.

cond-mat.supr-con↗

arXiv2021

Candidate structure for the H$_2$-PRE phase of solid hydrogen

Experimental progress finally reached the metallic solid hydrogen phase, which was predicted by Wigner and Huntington over 80 years ago. However, the different structures in the phase diagram are still been debated due to the difficulty of diffraction experiments for high-pressured hydrogen. The determination of crystal structures under extreme condition is both of the basic condensed matter physics, and in planetary science: the behavior of giant gaseous planets (e.g. Jupiter, Saturn...) strongly depends on the properties of inner high-pressured hydrogen. This work describes new possible structures appearing under high pressures of 400$\sim$600 GPa. We applied a structural search using particle swarm optimization with density functional theory (DFT) to propose several candidate structures. For these structures, we performed fixed-node diffusion Monte Carlo simulations combined with DFT zero-point energy corrections to confirm their relative stability. We found $P2_{1}/c$-8 as a promising candidate structure for the H$_2$-PRE phase. $P2_{1}/c$-8 is predicted the most stable at 400 and 500~GPa. $P2_{1}/c$-8 reproduces qualitatively the IR spectrum peaks observed in the H$_2$-PRE phase.

cond-mat.mtrl-sci↗

arXiv2020

Mechanistic Insight to the Chemical Treatments of Monolayer Transition Metal Disulfides for Photoluminescence Enhancement

There is a growing interest in obtaining high quality monolayer transition metal disulfides (TMDSs) for optoelectronic device applications. Surface chemical treatments using a range of chemicals on monolayer TMDSs have proven effective to improve their photoluminescence (PL) yield. However, the underlying mechanism for PL enhancement by these treatments is not clear, which prevents a rational design of passivation strategies. In this work, a simple and effective approach to significantly enhance PL of TMDSs is demonstrated by using a family of cation donors, which we show to be much more effective than commonly used p-dopants which achieve PL enhancement through electron transfer. We develop a detailed mechanistic picture for the action of these cation donors and demonstrate that one of them, Li-TFSI (bistriflimide), enhances the PL of both MoS2 and WS2 to a level double that compared to the widely discussed and currently best performing super acid H-TFSI treatment. In addition, the ionic salts used in chemical treatments are compatible with a range of greener solvents and are easier to handle than super-acids, which provides the possibility of directly treating TMDSs during device fabrication. This work sets up rational selection rules for ionic chemicals to passivate TMDSs and increases the potential of TMDSs in practical optoelectronic applications.

physics.app-ph↗

arXiv2016

Inverse Design of Inorganic Electrides

Electrides are ionic solids that consist of cationic frameworks and anionic electrons trapped in the voids of lattices. Organic electrides exist in a large abundance, but the thermal instability at room temperature and sensitivity to moisture are bottlenecks that limit their practical uses. Known inorganic electrides are rare but appear to have high thermal and chemical stability and exhibit promising applications as electron-emitting materials, superior catalysts and strong reducing agents. Here, we report a developed inverse-design method that can be used to search for a large variety of inorganic electrides. Our method utilizes the intrinsic property of interstitial electron localization of electrides as the global variable function being incorporated into the swarm-intelligence based structure searches. Through screening 99 binary ionic compounds, we have designed 89 new inorganic electrides that are classified into three-, two-, and zero-dimensional species according to the way that the interstitial electrons are localized and the conductive properties of the systems. Our work reveals the rich abundance of inorganic electrides by extending them into more general forms and provides new structure types for electrides that are not thought of as before.

cond-mat.mtrl-sci↗

arXiv2015

Quantum Hydrogen-Bond Symmetrization and High-Temperature Superconductivity in Hydrogen Sulfide

Hydrogen compounds are peculiar as the quantum nature of the proton can crucially affect their structural and physical properties. A remarkable example are the high-pressure phases of H$_2$O, where quantum proton fluctuations favor the symmetrization of the H bond and lower by 30 GPa the boundary between the asymmetric structure and the symmetric one. Here we show that an analogous quantum symmetrization occurs in the recently discovered sulfur hydride superconductor with the record superconducting critical temperature $T_c=203$ K at 155 GPa. In this system, according to classical theory, superconductivity occurs via formation of a structure of stoichiometry H$_3$S with S atoms arranged on a body-centered-cubic (bcc) lattice. For $P \gtrsim 175$ GPa, the H atoms are predicted to sit midway between two S atoms, in a structure with $Im\bar3m$ symmetry. At lower pressures the H atoms move to an off-center position forming a short H$-$S covalent bond and a longer H$\cdots$S hydrogen bond, in a structure with $R3m$ symmetry. X-ray diffraction experiments confirmed the H$_3$S stoichiometry and the S lattice sites, but were unable to discriminate between the two phases. Our present ab initio density-functional theory (DFT) calculations show that the quantum nuclear motion lowers the symmetrization pressure by 72 GPa. Consequently, we predict that the $Im\bar3m$ phase is stable over the whole pressure range within which a high $T_c$ was measured. The observed pressure-dependence of $T_c$ is closely reproduced in our calculations for the $Im\bar3m$ phase, but not for the $R3m$ phase. Thus, the quantum nature of the proton completely rules the superconducting phase diagram of H$_3$S.

cond-mat.supr-con↗

arXiv2015

Dissociation products and structures of solid H2S at strong compression

Hydrogen sulfides have recently received a great deal of interest due to the record high superconducting temperatures of up to 203 K observed on strong compression of dihydrogen sulfide (H2S). A joint theoretical and experimental study is presented in which decomposition products and structures of compressed H2S are characterized, and their superconducting properties are calculated. In addition to the experimentally known H2S and H3S phases, our first-principles structure searches have identified several energetically competitive stoichiometries that have not been reported previously; H2S3, H3S2, and H4S3. In particular, H4S3 is predicted to be thermodynamically stable within a large pressure range of 25-113 GPa. High-pressure room-temperature X-ray diffraction measurements confirm the presence of H3S and H4S3 through decomposition of H2S that emerge at 27 GPa and coexist with residual H2S, at least up to the highest pressure studied in our experiments of 140 GPa. Electron-phonon coupling calculations show that H4S3 has a small Tc of below 2 K, and that H2S is mainly responsible for the observed superconductivity of samples prepared at low temperature (<100K).

cond-mat.supr-con↗

arXiv2015

Hydrogen sulphide at high pressure: a strongly-anharmonic phonon-mediated superconductor

We use first principles calculations to study structural, vibrational and superconducting properties of H$_2$S at pressures $P\ge 200$ GPa. The inclusion of zero point energy leads to two different possible dissociations of H$_2$S, namely 3H$_2$S $\to$ 2H$_3$S + S and 5H$_2$S $\to$ 3H$_3$S + HS$_2$, where both H$_3$S and HS$_2$ are metallic. For H$_3$S, we perform non-perturbative calculations of anharmonic effects within the self-consistent harmonic approximation and show that the harmonic approximation strongly overestimates the electron-phonon interaction ($λ\approx 2.64$ at 200 GPa) and T$_c$. Anharmonicity hardens HS bond-stretching modes and softens H--S bond-bending modes. As a result, the electron-phonon coupling is suppressed by $30\%$ ($λ\approx 1.84$ at 200 GPa). Moreover, while at the harmonic level T$_c$ decreases with increasing pressure, the inclusion of anharmonicity leads to a T$_c$ that is almost independent of pressure. High pressure hydrogen sulfide is a strongly anharmonic superconductor.

cond-mat.supr-con↗