Publication Date:
2018-07-27
Description:
Two-dimensional (2D) topological insulators (TIs) and Chern insulators (CIs) promise quantum spin Hall (QSH) and quantum anomalous Hall (QAH) states without dissipation. By combining first-principles calculations with Wannier functions-based tight-binding (TB) modeling, we demonstrate that the graphenelike BC 3 , which was fabricated early in experiment, can become 2D TIs and CIs through suitable decoration of adatoms. For the thallium (Tl) decorated BC 3 systems, three low-energy structures with the same stoichiometry of BC 3 Tl, whose stabilities are verified by the ab initio evolutionary algorithm, are found to be robust 2D TIs with the largest topologically nontrivial band gap of about 224 meV. For the transition metal atoms adsorbed BC 3 , three (2 × 2) BC 3 systems with one adatom of technetium (Tc), rhenium (Re), or ruthenium (Ru) are found to be good CIs with the ferromagnetic moments of 1 to 2 μ B ...
Electronic ISSN:
1367-2630
Topics:
Physics