arXiv subjects

Canbo Zong

Publications and source records attributed to Canbo Zong.

4 recordsLinked to original sources

arXiv2025

Kinetically accessible 1D magnetic chains of transition-metal chalcogenides and halides on van der Waals surfaces

One-dimensional (1D) chains offer unique opportunities for nanoelectronics and spintronics, yet their experimental realization remains challenging because 1D motifs are often thermodynamically disfavored relative to higher-dimensional phases. Here we present a high-throughput first-principles exploration of 1D single-atomic transition-metal chalcogenide and halide chains, screening 6,832 candidates constructed from binary combinations of 28 metals and 8 non-metals. To assess kinetic accessibility, we compare the formation energetics of 1D chains with competing two-dimensional polymorphs at the nucleation stage across relevant chemical-potential windows, using nucleation-stage thermodynamic selectivity as a proxy. This workflow identifies 183 kinetically accessible 1D chains. Interpretable machine-learning analysis reveals two simple stability descriptors as key drivers of 1D stabilization. The accessible chains exhibit diverse magnetic configurations with different magnetic characters. We further uncover their pronounced magnetoelastic couplings, exemplified by CrTe with giant magnetostriction reaching 5.93%. Finally, we show that selected metallic ferromagnetic chains retain robust edge magnetism on superconducting substrates, laying the groundwork for proximity-induced topological superconductivity and Majorana zero modes.

cond-mat.mtrl-sci↗

arXiv2025

Electric-Field-Tunable Luttinger compensated antiferromagnetism in double CrCl2 chains

Luttinger compensated antiferromagnets (LcAFMs), combining spin polarization with vanishing net magnetization, offering distinct advantages for next-generation spintronic applications. Using first-principles calculations, we demonstrate that conventional antiferromagnetic CrCl2 double chains can be transformed into one-dimensional LcAFMs under an external electric field, exhibiting pronounced isotropic spin splitting. The magnitude of the splitting, as well as the band gap, can be effectively tuned by both in-plane and out-of-plane fields, thereby providing greater controllability than in two-dimensional counterparts. To further enhance the tunability, we design a nearly lattice-matched CrCl2/MoTe2 heterostructure and uncover that interfacial charge transfer generates a built-in electric field, inducing spin splitting comparable to that driven by external fields. These results establish interfacial engineering as a highly efficient route to realize and manipulate LcAFM states in low-dimensional magnets, expanding the design principles for spintronic functionalities at the nanoscale.

cond-mat.mtrl-sci↗

arXiv2025

Tunable altermagnetism via inter-chain engineering in parallelassembled atomic chains

Altermagnetism has recently drawn considerable attention in three- and twodimensional materials. Here, we extend this concept to quasi-one-dimensional (Q1D) monolayers assembled from single-atomic magnetic chains. Through systematically examining nine types of structures, two stacking orders, and intra-/inter-chain magnetic couplings, we identify four out of thirty promising structural prototypes for hosting altermagnetism, which yields 192 potential monolayer materials. We further confirm eight thermodynamically stable Q1D monolayers via high-throughput calculations. Using symmetry analysis and first-principles calculations, we find that the existence of altermagnetism is determined by the type of inter-chain magnetic coupling and predict three intrinsic altermagnets,\(CrBr_3\),\(VBr_3\),\(MnBr_3\),due to their ferromagnetic inter-chain couplings and five extrinsic ones,\(CrF_3\),\(CrCl_3\),\(CrI_3\),\(FeCl_3\)and \(CoTe_3\), ascribed to their neglectable or antiferromagnetic inter-chain couplings. Moreover, the inter-chain magnetic coupling here is highly tunable by manipulating the inter-chain spacing, leading to experimentally feasible transitions between altermagnetic and nodal-line semiconducting states. In addition, applying external electric fields can further modulate the spin splitting. Our findings establish a highly tunable family of Q1D altermagnets, offering fundamental insights into the intricate relationship between geometry, electronic structure, and magnetism.These discoveries hold significant promises for experimental realization and future spintronic applications.

cond-mat.mtrl-sci↗

arXiv2025

High-Throughput Discovery of Kagome Materials in Transition Metal Oxide Monolayers

Kagome materials are known for hosting exotic quantum states, including quantum spin liquids, charge density waves, and unconventional superconductivity. The search for kagome monolayers is driven by their ability to exhibit neat and well-defined kagome bands near the Fermi level, which are more easily realized in the absence of interlayer interactions. However, this absence also destabilizes the monolayer forms of many bulk kagome materials, posing significant challenges to their discovery. In this work, we propose a strategy to address this challenge by utilizing oxygen vacancies in transition metal oxides within a "1+3" design framework. Through high-throughput computational screening of 349 candidate materials, we identified 12 thermodynamically stable kagome monolayers with diverse electronic and magnetic properties. These materials were classified into three categories based on their lattice geometry, symmetry, band gaps, and magnetic configurations. Detailed analysis of three representative monolayers revealed kagome band features near their Fermi levels, with orbital contributions varying between oxygen 2p and transition metal d states. This study demonstrates the feasibility of the "1+3" strategy, offering a promising approach to uncovering low-dimensional kagome materials and advancing the exploration of their quantum phenomena.

cond-mat.mes-hall↗