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Updated: Jun 10, 2025

Interactive Molecular Model Assembly with 3D Printing
Published on: August 13, 2020
Tight-binding model of Pt-based jacutingaites as combination of the honeycomb and kagome lattices
G Santos-Castro1, L K Teles2, I Guilhon Mitoso2
1Grupo de Teoria da Matéria Condensada, Departamento de Física, Universidade Federal do Ceará, 60455-760 Fortaleza, Ceará, Brazil.
Abstract:
We introduce a refined tight-binding (TB) model for Pt-based jacutingaite materialsPt2NX3, (N= Zn, Cd, Hg; X = S, Se, Te), offering a detailed representation of the low-energy physics of its monolayers. This model incorporates all elements with significant spin-orbit coupling contributions, which are essential for understanding the topological energy gaps in these materials. Through comparison with first-principles calculations, we meticulously fitted the TB parameters, ensuring an accurate depiction of the energy bands near the Fermi level. Our model reveals the intricate interplay between the Pt 3eandNmetal orbitals, forming distinct kagome and honeycomb lattice structures. Applying this model, we explore the edge states of Pt-based jacutingaite monolayer nanoribbons, highlighting the sensitivity of the topological edge states dispersion bands to the nanostructures geometric configurations. These insights not only deepen our understanding of jacutingaite materials but also assist in tailoring their electronic properties for future applications.
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