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A. Baradaran

Publications and source records attributed to A. Baradaran.

2 recordsLinked to original sources

Symmetry-constrained low-energy effective Hamiltonian for topological RuC and OsC monolayers

We derive a low-energy $\mathbf{k}\cdot\mathbf{p}$ effective Hamiltonian for monolayer osmium carbide (OsC) and ruthenium carbide (RuC) in a planar hexagonal configuration. First-principles calculations indicate that both monolayers are dynamically stable and exhibit features of a two-dimensional quantum spin Hall (QSH) phase, characterized by a nontrivial $\mathbb{Z}_2$ topological invariant. Using symmetry analysis at the $\Gamma$ point, we construct a multiband $\mathbf{k}\cdot\mathbf{p}$ Hamiltonian including spin-orbit coupling and reduce it to a four-band low-energy model through L\"owdin partitioning. The effective Hamiltonian has a block-diagonal form, with two blocks related by time-reversal symmetry, analogous to the Bernevig--Hughes--Zhang (BHZ) model. In contrast to the standard BHZ form, the symmetry-allowed off-diagonal coupling contains quadratic momentum-dependent terms, which modify the low-energy dispersion near the $\Gamma$ point. The fitted parameters reproduce the ab initio band structures in the low-energy region, yielding a compact model for analyzing the electronic and topological properties of monolayer OsC and RuC.

physics.app-ph

Topological viewpoint of two-dimensional group III-V and IV-IV compounds in the presence of electric field and spin-orbit coupling by density functional theory and tight-binding model

Using the tight-binding model and density functional theory, the topological invariant of the two-dimensional (2D) group III-V and IV-IV compounds are studied in the absence and the presence of an external perpendicular electric field and spin-orbit coupling. It will be recognized that a critical value of these parameters changes the topological invariant of 2D graphene-like compounds. The significant effects of an external electric field and spin-orbit coupling are considered to the two-center overlap integrals of the Slater-Koster model involved in band structures, changing band-gap, and tuning the topological phase transition between ordinary and quantum spin Hall regime. These declare the good consistency between two theories: tight-binding and density functional. So, this study reveals topological phase transition in these materials. Our finding paves a way to extend an effective Hamiltonian, and may instantly clear some computation aspects of the study in the field of spintronic based on the first-principles methods.

cond-mat.mtrl-sci