Source author record

Bo Gu

Bo Gu appears in the imported research catalog. Authorship, coauthor and topic links are available while profile ownership is still unclaimed.

ResearcherUnclaimed source record

Catalog footprint

What is connected

20works
5topics
4close collaborators

Actions

Connect this record

Log in to claim

Research graph

See the researcher in context

Open full explorer

Inspect adjacent papers, topics, institutions and collaborators without losing the researcher page.

Building this map preview

BZPEER is loading the nearby papers, people, topics and institutions for this page.

Published work

20 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.

preprint2016arXiv

Diluted magnetic semiconductors with narrow band gaps

We propose a method to realize diluted magnetic semiconductors (DMS) with p- and n-type carriers by choosing host semiconductors with a narrow band gap. By employing a combination of the density function theory and quantum Monte Carlo simulation, we demonstrate such semiconductors using Mn-doped BaZn2As2, which has a band gap of 0.2 eV. In addition, we found a new non-toxic DMS Mn-doped BaZn2Sb2, of which the Curie temperature Tc is predicted to be higher than that of Mn-doped BaZn2As2, the Tc of which was up to 230 K in the recent experiment.

preprint2016arXiv

New p- and n-type ferromagnetic semiconductors: Cr-doped BaZn2As2

We find new ferromagnetic semiconductors, Cr-doped BaZn2As2, by employing a combined method of the density functional theory and the quantum Monte Carlo simulation. Due to a narrow band gap of 0.2 eV in host BaZn2As2 and the different hybridization of 3d orbitals of Cr impurity, the impurity bound states have been induced both below the top of valence band and above the bottom of conduction band. The long-range ferromagnetic coupling between Cr impurities is obtained with both p- and n-type carriers.

preprint2015arXiv

Enhanced spin Hall effect by electron correlations in CuBi alloys

A recent experiment in CuBi alloys obtained a large spin Hall angle (SHA) of -0.24 (Niimi et al. Phys. Rev. Lett. 109, 156602 (2012)). We find that the SHA can be dramatically enhanced by Bi impurities close to the Cu surface. The mechanisms of this enhancement are two-fold. One is that the localized impurity state on surface has a decreased hybridization and combined with Coulomb correlation effect. The other comes from the low-dimensional state of conduction electrons on surface, which results in a further enhancement of skew scattering by impurities. Furthermore, we note that a discrepancy in sign of SHA between the experiment and previous theories is simply caused by different definitions of SHA. This re-establishes skew scattering as the essential mechanism underlying the spin Hall effect in CuBi alloys.

preprint2015arXiv

Fermi Surfaces and $p$-$d$ Hybridization in the Diluted Magnetic Semiconductor Ba$_{1-x}$K$_{x}$(Zn$_{1-y}$Mn$_{y}$)$_{2}$As$_{2}$ Studied by Soft X-ray Angle Resolved Photoemission Spectroscopy

The electronic structure of the new diluted magnetic semiconductor Ba$_{1-x}$K$_{x}$(Zn$_{1-y}$Mn$_{y}$)$_{2}$As$_{2}$ ($x=0.30$, $y=0.15$) in single crystal form has been investigated by angle-resolved photoemission spectroscopy (ARPES). %High density of states of nondispersive bands composed of the Zn $3d$ orbitals are observed with ultraviolet incident light. Measurements with soft x-rays clarify the host valence-band electronic structure primarily composed of the As $4p$ states. Two hole pockets around the $Γ$ point, a hole corrugated cylinder surrounding the $Γ$ and Z points, and an electron pocket around the Z point are observed, and explain the metallic transport of Ba$_{1-x}$K$_{x}$(Zn$_{1-y}$Mn$_{y}$)$_{2}$As$_{2}$. This is contrasted with Ga$_{1-x}$Mn$_{x}$As (GaMnAs), where it is located above the As $4p$ valence-band maximum (VBM) and no Fermi surfaces have been clearly identified. Resonance soft x-ray ARPES measurements reveal a nondispersive (Kondo resonance-like) Mn $3d$ impurity band near the Fermi level, as in the case of GaMnAs. However, the impurity band is located well below the VBM, unlike the impurity band in GaMnAs, which is located around and above the VBM. We conclude that, while the strong hybridization between the Mn $3d$ and the As $4p$ orbitals plays an important role in creating the impurity band and inducing high temperature ferromagnetism in both systems, the metallic transport may predominantly occur in the host valence band in Ba$_{1-x}$K$_{x}$(Zn$_{1-y}$Mn$_{y}$)$_{2}$As$_{2}$ and in the impurity band in GaMnAs.

preprint2015arXiv

Photoemission and X-ray Absorption Studies of the Diluted Magnetic Semiconductor Ba$_{1-y}$K$_{y}$(Zn$_{1-x}$Mn$_{x}$)$_{2}$As$_{2}$ Isostructural to Fe-based Superconductors

The electronic and magnetic properties of a new diluted magnetic semiconductor (DMS) Ba$_{1-x}$K$_{x}$(Zn$_{1-y}$Mn$_{y}$)$_{2}$As$_{2}$, which is isostructural to so-called 122-type Fe-based superconductors, are investigated by x-ray absorption spectroscopy (XAS) and resonance photoemission spectroscopy (RPES). Mn $L_{2,3}$-edge XAS indicates that the doped Mn atoms have the valence 2+ and strongly hybridize with the $4p$ orbitals of the tetrahedrally coordinating As ligands. The Mn $3d$ partial density of states (PDOS) obtained by RPES shows a peak around 4 eV and relatively high between 0-2 eV below the Fermi level ($E_{F}$) with little contribution at $E_{F}$, similar to that of the archetypal DMS Ga$_{1-x}$Mn$_{x}$As. This energy level creates $d^{5}$ electron configuration with $S=5/2$ local magnetic moments at the Mn atoms. Hole carriers induced by K substitution for Ba atoms go into the top of the As $4p$ valence band and are weakly bound to the Mn local spins. The ferromagnetic correlation between the local spins mediated by the hole carriers induces ferromagnetism in Ba$_{1-x}$K$_{x}$(Zn$_{1-y}$Mn$_{y}$)$_{2}$As$_{2}$

preprint2015arXiv

Sign change of the spin Hall effect due to electron correlation in nonmagnetic CuIr alloys

Recently a positive spin Hall angle (SHA) of 0.021, was observed experimentally in nonmagnetic CuIr alloys [Niimi et al., Phys. Rev. Lett. 106, 126601 (2011)] and attributed predominantly to an extrinsic skew scattering mechanism, while a negative SHA was obtained from ab initio calculations [Fedorov et al., Phys. Rev. B 88, 085116 (2013)], using consistent definitions of the SHA. We reconsider the SHA in CuIr alloys, with the effects of the local electron correlation U in 5d orbitals of Ir impurities, included by the quantum Monte Carlo method. We found that the SHA is negative if we ignore such local electron correlation, but becomes positive once U approaches a realistic value. This may open up a way to control the sign of the SHA by manipulating the occupation number of impurities.

preprint2015arXiv

What determines the sign of the spin Hall effects in Cu alloys doped with 5d elements?

We perform a systematical analysis of the spin Hall effect (SHE) in the Cu alloys doped with a series of 5d elements, by the combined approach of density functional theory and Hartree-Fock approximation. We find that not only the spin orbit interactions (SOI) in both the 5d and 6p orbitals, but also the local correlations in the 5d orbitals of the impurities, are decisive on the sign of the spin Hall angle (SHA). Including all of these three factors properly, we predict the SHA for each alloy in the series. The signs of CuIr and CuPt are sensitive to perturbation of the local correlations. This observation is favorable for controlling the sign of the transverse spin Hall voltage.

preprint2014arXiv

Analysis of the spin Hall effect in CuIr alloys: Combined approach of density functional theory and Hartree-Fock approximation

We analyze the spin Hall effect in CuIr alloys in theory by the combined approach of the density functional theory (DFT) and Hartree-Fock (HF) approximation. The SHA is obtained to be negative without the local correlation effects. After including the local correlation effects of the 5d orbitals of Ir impurities, the SHA becomes positive with realistic correlation parameters, and consistent with experiment [Niimi et al., Phys. Rev. Lett. 106, 126601 (2011)]. Moreover, our analysis shows that the DFT+HF approach is a convenient and general method to study the influence of local correlation effects on the spin Hall effect.