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Bo Gu

Bo Gu contributes to research discovery and scholarly infrastructure.

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Published work

12 published item(s)

preprint2026arXiv

SpaceMind++: Toward Allocentric Cognitive Maps for Spatially Grounded Video MLLMs

Recent multimodal large language models (MLLMs) have made remarkable progress in visual understanding and language-based reasoning, yet they lack a persistent world-centered representation for spatially consistent reasoning in 3D environments. Inspired by the mammalian dual-stream system, where semantic and spatial cues are processed separately and integrated into an allocentric cognitive map, we propose SpaceMind++, a video MLLM architecture that explicitly builds a voxelized cognitive map from RGB videos. This map reorganizes fragmented egocentric observations into a shared 3D metric representation, enabling the model to preserve object permanence and spatial topology across changing viewpoints. To make this allocentric representation usable by a pretrained video MLLM without disrupting its native visual-token interface, we introduce Coordinate-Guided Deep Iterative Fusion, a new mechanism that relays map-level spatial knowledge back into the original 2D visual features. This fusion is explicitly guided by coordinate embeddings and 3D Rotary Positional Encoding, which ground semantic interactions in metric 3D space, resembling the entorhinal binding of sensory features to metric space. Extensive experiments show that SpaceMind++ achieves new state-of-the-art performance on VSI-Bench. Furthermore, it demonstrates superior out-of-distribution generalization on SPBench, SITE-Bench, and SPAR-Bench, underscoring its robustness in unseen 3D environments.

preprint2022arXiv

Magnetic Properties and Electronic Configurations of Mn Ions in the Diluted Magnetic Semiconductor Ba$_{1-x}$K$_{x}$(Zn$_{1-y}$Mn$_{y}$)$_{2}$As$_{2}$ Studied by X-ray Magnetic Circular Dichroism and Resonant Inelastic X-ray Scattering

The magnetic properties and the electronic excitations of the new diluted magnetic semiconductor Ba$_{1-x}$K$_{x}$(Zn$_{1-y}$Mn$_{y}$)$_{2}$As$_{2}$ have been studied by x-ray magnetic circular dichroism (XMCD) and resonant inelastic x-ray scattering (RIXS) at the Mn $L_{2,3}$ edge. The sum rule analysis of the XMCD spectra yields the net spin moment of $0.45μ_{\text{B}}$/Mn and the small orbital moment of $0.05μ_{\text{B}}$/Mn. This indicates that the Mn atoms are in the high-spin configurations of $d^{5}$, whereas the presence of competing ferromagnetic and antiferromagnetic interactions between the Mn ions reduces the net spin moment. RIXS spectra show broad peaks from 1 to 6 eV energy loss, which originate from the $d$-$d$ crystal field excitations of the Mn ions. Based on a comparison of the RIXS line shapes with those of Ga$_{1-x}$Mn$_{x}$As, we conclude that the ground state of Mn in Ba$_{1-x}$K$_{x}$(Zn$_{1-y}$Mn$_{y}$)$_{2}$As$_{2}$ consists not only of the charge-transferred $3d^{5}\underline{L}$ electron configuration ($\underline{L}$: ligand hole) with weakly bound holes as in Ga$_{1-x}$Mn$_{x}$As, but also of the pure $3d^{5}$ configuration with free holes.

preprint2022arXiv

Topological superconductivity and large spin Hall effect in the kagome family Ti6X4 (X = Bi, Sb, Pb, Tl, In)

Topological superconductors (TSC) become a focus of research due to the accompanying Majorana fermions. However, the experimentally reported TSC are extremely rare. The recent experiments reported the kagome TSC AV$_{3}$Sb$_{5}$ (A=K, Rb, Cs), which exhibit unique superconductivity, topological surface states (TSS), and Majorana bound states. More recently, the first titanium-based kagome superconductor CsTi$ _{3} $Bi$ _{5} $ with nontrivial topology was successfully synthesized as a perspective TSC. Given that Cs contributes little to the electronic structures of CsTi$ _{3} $Bi$ _{5} $ and binary compounds may be easier to be synthesized, here, by density functional theory calculations, we predict five stable non-magnetic kagome compounds Ti$ _{6} $X$ _{4} $ (X = Bi, Sb, Pb, Tl, In) which exhibit superconductivity with critical temperature Tc = 3.8$ - $5.1 K, nontrivial $\mathbb{Z}$$_2$ band topology, and TSS close to the Fermi level. In addition, the large intrinsic spin Hall effect is obtained in Ti$ _{6} $X$ _{4} $, which is caused by gapped Dirac nodes and nodal lines due to a strong spin-orbit coupling. This work offers new platforms for TSC and spintronic devices.

preprint2021arXiv

Electric field induced topological phase transition and large enhancements of spin-orbit coupling and Curie temperature in two-dimensional ferromagnetic semiconductors

Tuning topological and magnetic properties of materials by applying an electric field is widely used in spintronics. In this work, we find a topological phase transition from topologically trivial to nontrivial states at an external electric field of about 0.1 V/A in MnBi$_2$Te$_4$ monolayer that is a topologically trivial ferromagnetic semiconductor. It is shown that when electric field increases from 0 to 0.15 V/A, the magnetic anisotropy energy (MAE) increases from about 0.1 to 6.3 meV, and the Curie temperature Tc increases from 13 to about 61 K. The increased MAE mainly comes from the enhanced spin-orbit coupling due to the applied electric field. The enhanced Tc can be understood from the enhanced $p$-$d$ hybridization and decreased energy difference between $p$ orbitals of Te atoms and $d$ orbitals of Mn atoms. Moreover, we propose two novel Janus materials MnBi$_2$Se$_2$Te$_2$ and MnBi$_2$S$_2$Te$_2$ monolayers with different internal electric polarizations, which can realize quantum anomalous Hall effect (QAHE) with Chern numbers $C$=1 and $C$=2, respectively. Our study not only exposes the electric field induced exotic properties of MnBi2Te4 monolayer, but also proposes novel materials to realize QAHE in ferromagnetic Janus semiconductors with electric polarization.

preprint2021arXiv

Enhanced superconductivity in C-S-H compounds at high pressure

Recently, the superconducting transition temperature Tc = 287 K has been experimentally obtained in the material composed of carbon, sulfur, and hydrogen under the high pressure of 267 GPa. The material structure is unknown yet, where the carbon and sulfur were added at a molar ratio of 1:1. Here, fixing the molar ratio of C : S = 1:1, we studied several possible C-S-H structures, and found a new stable structure C2S2H4 using the first-principles calculations. The C2S2H4 shows an insulator-to-metal transition and the superconducting ground state at the pressure of 64 GPa, and its Tc can reach 16.5 K at 300 GPa. In addition, we found another stable structure of C2S3H4, whose Tc is 47.4 K at 300 GPa. The calculations show that the added S atom in C2S3H4 breaks part of C-H bonds in C2S2H4, makes the vibration of H atom at a lower frequency, and thus enhances the electro-phonon coupling and Tc. Our results suggest that the molar ratio of C:S lower than 1:1 in the C-S-H systems may be favorable to enhance Tc. This can be useful to figure out the structure of the C-S-H material with room temperature Tc in the recent experiment.

preprint2021arXiv

Two-dimensional topological superconductivity candidate in van der Waals layered material

Two-dimensional (2D) topological superconductors are highly desired because they not only offer opportunities for exploring novel exotic quantum physics, but also possesses potential applications in quantum computation. However, there are few reports on 2D superconductors, let alone topological superconductors. Here, we find a 2D monolayer W$_2$N$_3$, which can be exfoliated from its real van der Waals bulk material with much lower exfoliation energy than MoS$_2$, to be a topological metal with exotic topological states at different energy level. Due to the Van Hove singularities, the density of states near Fermi level are high, making the monolayer a compensate metal. Moreover, the monolayer W$_2$N$_3$ is unveiled to be a superconductor with the superconducting transition temperature Tc $\sim$ 22 K and a superconducting gap of about 5 meV based on the anisotropic Migdal-Eliashberg formalism, arising from the strong electron-phonon coupling around the $Γ$ point. Because of the strong electron and lattice coupling, the monolayer displays a non-Fermi liquid behavior in its normal states at temperatures lower than 80 K, where the specific heat exhibit T$^3$ behavior and the Wiedemann-Franz law dramatically violates. Our findings not only provide the platform to study the emergent phenomena in 2D topological superconductors, but also open a door to discover more 2D high-temperature topological superconductors in van der Waals materials.

preprint2020arXiv

Antiferromagnetic and Electric Polarized States in Two-Dimensional Janus Semiconductor Fe2Cl3I3

Two-dimensional (2D) Janus semiconductors with mirror asymmetry can introduce novel properties, such as large spin-orbit coupling (SOC) and normal piezoelectric polarization, which have attracted a great interest for their potential applications. Inspired by the recently fabricated 2D ferromagnetic (FM) semiconductor CrI3, a stable 2D (in x-y plane) antiferromagnetic (AFM) Janus semiconductor Fe2Cl3I3 with normal sublattice magnetization (m//z) is obtained by density functional theory calculations. By applying a tensile strain, the four magnetic states sequentially occur: AFM with m//z of sublattice, AFM with m//xy of sublattice, FM with m//xy, and FM with m//z. Such novel magnetic phase diagram driven by strain can be well understood by the spin-spin interactions including the third nearest-neighbor hoppings with the single-ion anisotropy, in which the SOC of I atoms is found to play an essential role. In addition, the electric polarization of Fe2Cl3I3 preserves with strain due to the broken inversion symmetry. Our results predict the rare Janus material Fe2Cl3I3 as an example of 2D semiconductors with both spin and charge polarizations, and reveal the highly sensitive strain-controlled magnetic states and magnetization direction, which highlights the 2D magnetic Janus semiconductor as a new platform to design spintronic materials.

preprint2020arXiv

Flat Band and Hole-induced Ferromagnetism in a Novel Carbon Monolayer

In recent experiments, superconductivity and correlated insulating states were observed in twisted bilayer graphene (TBG) with small magic angles, which highlights the importance of the flat bands near Fermi energy. However, the moiré pattern of TBG consists of more than ten thousand carbon atoms that is not easy to handle with conventional methods. By density functional theory calculations, we obtain a flat band at E$_F$ in a novel carbon monolayer coined as cyclicgraphdiyne with the unit cell of eighteen atoms. By doping holes into cyclicgraphdiyne to make the flat band partially occupied, we find that cyclicgraphdiyne with 1/8, 1/4, 3/8 and 1/2 hole doping concentration shows ferromagnetism (half-metal) while the case without doping is nonmagnetic, indicating a hole-induced nonmagnetic-ferromagnetic transition. The calculated conductivity of cyclicgraphdiyne with 1/8, 1/4 and 3/8 hole doping concentration is much higher than that without doping or with 1/2 hole doping. These results make cyclicgraphdiyne really attractive. By studying several carbon monolayers, we find that a perfect flat band may occur in the lattices with both separated or corner-connected triangular motifs with only including nearest-neighboring hopping of electrons, and the dispersion of flat band can be tuned by next-nearest-neighboring hopping. Our results shed insightful light on the formation of flat band in TBG. The present study also poses an alternative way to manipulate magnetism through doping flat band in carbon materials.

preprint2020arXiv

Kagome quantum anomalous Hall effect with high Chern number and large band gap

Due to the potential applications in the low-power-consumption spintronic devices, the quantum anomalous Hall effect (QAHE) has attracted tremendous attention in past decades. However, up to now, QAHE was only observed experimentally in topological insulators with Chern numbers C= 1 and 2 at very low temperatures. Here, we propose three novel two-dimensional stable kagome ferromagnets Co3Pb3S2, Co3Pb3Se2and Co3Sn3Se2that can realize QAHE with high Chern number of |C|=3. Monolayers Co3Pb3S2, Co3Pb3Se2 and Co3Sn3Se2 possess the large band gap of 70, 77 and 63 meV with Curie temperature TC of 51, 42 and 46 K, respectively. By constructing a heterostructure Co3Sn3Se2/MoS2, its TC is enhanced to 60 K and the band gap keeps about 60 meV due to the tensile strain of 2% at the interface. For the bilayer compound Co6Sn5Se4, it becomes a half-metal, with a relatively flat plateau in its anomalous Hall conductivity corresponding to |C| = 3 near the Fermi level. Our results provide new topological nontrivial systems of kagome ferromagnetic monolayers and heterostructrues possessing QAHE with high Chern number |C| = 3 and large band gaps.

preprint2020arXiv

Spin treacle in a frustrated magnet observed with spin current

By means of spin current, the flow of spin angular momentum, we find a regime of "spin treacle" in a frustrated magnetic system. To establish its existence, we have performed spin transport measurements in nanometer-scale spin glasses. At temperatures high enough that the magnetic moments fluctuate at high frequencies, the spin Hall angle, the conversion yield between spin current and charge current, is independent of temperature. The spin Hall angle starts to decrease at a certain temperature $T^{*}$ and completely vanishes at a lower temperature. We argue that the latter corresponds to the spin freezing temperature $T_{\rm f}$ of the nanometer-scale spin glass, where the direction of conduction electron spin is randomized by the exchange coupling with the localized moments. The present experiment \textit{quantitatively} verifies the existence of a distinct "spin treacle" between $T_{\rm f}$ and $T^{*}$. We have also quantified a time scale of fluctuation of local magnetic moments in the spin treacle from the spin relaxation time of conduction electrons.

preprint2020arXiv

Superconductivity in sodium-doped T-carbon

T-carbon has been proposed as a new carbon allotrope in 2011, which was successfully synthesized in recent experiments. Because of its fluffy structure, several kinds of atoms can be intercalated into T-carbon, making it a versatile candidate in various applications such as hydrogen storage, perovskite solar cells, lithium ion batteries, thermoelectrics, photocatalyst, etc. Here we show that superconductivity can appear in Na-doped T-carbon with superconducting transition temperature Tc of 11 K at ambient pressure, and Tc can be enhanced to 19 K under pressure of 14 GPa, which results from an enhancement of the electron-phonon coupling due to the shift of the phonon spectral weight to lower frequencies with the increase of pressure. The calculations on specific heat and electrical and thermal conductivities show that the normal state of the Na-doped T-carbon superconductor reveals a non-Fermi liquid behavior. The prediction of superconductivity in Na-doped T-carbon would spur great interest both experimentally and theoretically to explore novel carbon-based superconductors.

preprint2020arXiv

Two-dimensional magnetic semiconductors with room Curie temperatures

We propose two-dimensional (2D) Ising-type ferromagnetic semiconductors TcSiTe3, TcGeSe3, and TcGeTe3 with high Curie temperatures around 200-0500 K. Owing to large spin-orbit couplings, the large magnetocrystalline anisotropy energy (MAE), large anomalous Hall conductivity, and large magneto-optical Kerr effect were discovered in these intriguing 2D materials. By comparing all possible 2D MGeTe3 materials (M = 3d, 4d, 5d transition metals), we found a large orbital moment around 0.5 $μ$B per atom and a large MAE for TcGeTe3. The large orbital moments are revealed to be from the comparable crystal fields and electron correlations in these Tc-based 2D materials. The microscopic mechanism of the high Curie temperature is also addressed. Our findings reveal the unique magnetic behaviors of 2D Tc-based materials and present a family of 2D ferromagnetic semiconductors with large MAE and Kerr rotation angles that would have wide applications in designing spintronic devices.