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H. -Q. Yuan

Publications and source records attributed to H. -Q. Yuan.

2 recordsLinked to original sources

Interlocked Vortex Order in the Frustrated $A_3$V$_9$Te$_{13}$ Lattice ($A$=Cs,Rb)

Recently synthesized $A_3$V$_9$Te$_{13}$ ($A$ = Cs, Rb) provides a unique platform for exploring the interplay between geometric frustration, magnetism, and correlated electronic states beyond conventional kagome systems. Based on first-principles calculations, we demonstrate that the frustrated V sublattice naturally stabilizes a robust vortex or anti-vortex antiferromagnetic ground state, whose total energy is substantially lower than all other configurations. In addition, the Heisenberg model analysis show strong constraints on the ground state magnetic configuration, such that fixing spin configuration of 1 triangle propagates and fixes all others. The vortex or anti-vortex phase hosts electronic structures reminiscent of kagome metals, including Dirac-like band crossings, van Hove singularities, and flat bands near the Fermi level. Owing to the noncollinear spin texture and quasi-two-dimensional magnetic character, the Néel temperature exhibits an extremely weak dependence on both the magnitude and direction of external magnetic fields, consistent with experimental observations. For Cs-based compound, the ground state band structure is metallic with 6 Weyl points in the BZ; while for the Rb-based compound, spin--orbit coupling opens an approximately 27-meV gap at ambient pressure due to the lifted C$_3$ symmetry. Our results establish $A_3$V$_9$Te$_{13}$ as a promising platform for studying frustration-driven chiral magnetism and its interplay with topological electronic states.

cond-mat.str-el↗

Pressure Induced Altermagnetism in Layered Ternary Iron-Selenides

Employing first-principles based calculations, we reexamined the high-pressure phases of the vacancy-ordered iron-selenides, i.e. A2Fe4Se5 phase. A magnetic transition from the block-spin antiferromagnetic phase to Neel-AM phase is observed under high pressure when the iron-vacancy order is preserved. The transition is first-order, driven by the collapse of c-axis and accompanied by an insulator-metal transition. In addition, the Neel-AM phase is a rare example of intrinsic altermagnetism that does not require ligand atoms nor supercell construction to break the spatial inversion or translational symmetry between the two spin sublattices, with a spin-splitting of the band structure as large as 300 meV. If the re-entrant superconducting phase of KyFe2-xSe2 under high pressure emerges from the Neel-AM normal state, an equal-spin triplet pairing would be naturally favored.

cond-mat.mtrl-sci↗