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Lucas L. Lage

Publications and source records attributed to Lucas L. Lage.

2 recordsLinked to original sources

Staggered orbital magnetization from itinerant electrons: orbital antiferro- and ferrimagnetic phases

Because electronic orbital angular momentum in solids is inherently non-local, its contribution to magnetism is usually cast in terms of a net orbital magnetization. Here, we show that itinerant electrons can generate orbital magnetic phases with ferromagnetic, antiferromagnetic, or ferrimagnetic orders. We demonstrate this possibility in a honeycomb lattice, using both the standard and a modified Haldane model. Employing real-space formulations, we decompose the itinerant orbital magnetization into sublattice contributions, $M_A$ and $M_B$. Their net ($M_z=M_A+M_B$) and staggered ($M_z^s=M_A-M_B$) combinations are then used to identify the orbital order. By varying the sublattice potential and the Fermi energy, we find distinct regimes: a (PT)-symmetric orbital antiferromagnet in the modified Haldane model, an orbital ferromagnet in the standard Haldane model, ferrimagnetic metallic states where net and staggered orbital magnetizations coexist, and insulating regimes in which the ferro- and antiferromagnetic orbital characters can be interchanged. These findings are explained by a low-energy theory in terms of two distinct valley mechanisms: valley-dependent Dirac masses in the standard Haldane model and valley-dependent energy shifts in its modified version.

cond-mat.mes-hall

Topology as a Design Variable for Multiproperty Engineering in Synthesized 4-5-6-8 Carbon Nanoribbons

Nonbenzenoid carbon frameworks expand low-dimensional material design via controlled asymmetry. Here, we show the experimentally realized 4-5-6-8 carbon nanoribbon establishes a topology-driven paradigm for multiproperty engineering, not just a graphene variant. Using hybrid DFT, tight-binding, and molecular dynamics in a multiscale framework, we demonstrate the symmetry-broken lattice stabilizes hierarchical bonds within standard energy ranges. This geometry produces a robust semiconducting state (hybrid gap >1 eV) and enables strain as a controllable modulation parameter. A tight-binding Hamiltonian fitted only at equilibrium accurately captures strain-dependent band evolution, proving the essential physics is topology-dominated. Mechanical analysis reveals high stiffness with fracture governed by the largest polygons, showing asymmetry redistributes stress without compromising integrity. Intrinsic phonon scattering suppresses thermal conductance, enabling favorable thermoelectric performance without extrinsic disorder. Optical response confirms non-equivalent ring connectivity reorganizes interband transitions, promoting strong visible absorption and efficient photocarrier generation. These results position topology as a governing parameter coupling elasticity, electronics, thermal transport, and optics, establishing the 4-5-6-8 nanoribbon as a unified platform for predictive design of multifunctional carbon materials.

cond-mat.mes-hall