Converting normal insulators into topological insulators via tuning orbital levels

Abstract

Tuning the spin-orbit coupling strength via foreign element doping and/or modifying bonding strength via strain engineering are the major routes to convert normal insulators to topological insulators. We here propose an alternative strategy to realize topological phase transition by tuning the orbital level. Following this strategy, our first-principles calculations demonstrate that a topological phase transition in some cubic perovskite-type compounds CsGeBr${}_3$ and CsSnBr${}_3$ could be facilitated by carbon substitutional doping. Such unique topological phase transition predominantly results from the lower orbital energy of the carbon dopant, which can pull down the conduction bands and even induce band inversion. Beyond conventional approaches, our finding of tuning the orbital level may greatly expand the range of topologically nontrivial materials.

References in corpus (19)

• Quantum Spin Hall Effect and Topological Phase Transition in HgTe Quantum Wells
• Quantum Spin Hall Insulator State in HgTe Quantum Wells
• Topological Insulators with Inversion Symmetry
• Experimental Observation of the Quantum Anomalous Hall Effect in a Magnetic Topological Insulator
• Discovery (theoretical prediction and experimental observation) of a large-gap topological-insulator class with spin-polarized single-Dirac-cone on the surface
• Quantized Anomalous Hall Effect in Magnetic Topological Insulators
• Topological Crystalline Insulators
• Quantum Spin Hall Effect in Inverted Type II Semiconductors
• Half-Heusler Compounds as a New Class of Three-Dimensional Topological Insulators
• Functionalized Germanene as a Prototype of Large-Gap Two-Dimensional Topological Insulators
• Direct Evidence for the Dirac-Cone Topological Surface States in Ternary Chalcogenide TlBiSe2
• Large-Gap Quantum Spin Hall Insulator in single layer bismuth monobromide Bi${}_4$Br${}_4$
• Three-Dimensional Topological Insulators in I-III-VI${}_2$ and II-IV-V${}_2$ Chalcopyrite Semiconductors
• Low-Energy Effective Hamiltonian for Giant-Gap Quantum Spin Hall Insulators in Honeycomb X-Hydride/Halide (X=N-Bi) Monolayers
• Electronic Structures and Surface States of Topological Insulator Bi${}_{1-x}$Sb${}_x$
• Sharp Raman Anomalies and Broken Adiabaticity at a Pressure Induced Transition from Band to Topological Insulator in Sb2Se3
• Quantum Spin Hall and Quantum Anomalous Hall States Realized in Junction Quantum Wells
• Strain tuning of topological band order in cubic semiconductors
• How Do You Want That Insulator?

Cited by in corpus (6)

• Thermoelectric Effects and Topological Insulators
• Electronic properties of SnTe-class topological crystalline insulator materials
• Enhanced spin-orbit coupling in a heavy metal via molecular coupling
• Defining the Topological Influencers and Predictive Principles to Engineer Band Structure of Halide Perovskites
• A Generic Slater-Koster Description of the Electronic Structure of Centrosymmetric Halide Perovskites
• Non-necessity of band inversion process in 2D topological insulators for bulk gapless states and topological phase transitions