Topological phase transition in compressed van der Waals superlattice heterostructure BiTeCl/HfTe2

doi:10.1088/1674-1056/ad462e

摘要/Abstract

摘要： Based on first-principles calculations, we investigate the electronic band structures and topological properties of heterostructure BiTeCl/HfTe$_{2}$ under $c$-direction strain. In the primitive structure, this material undergoes a phase transition from an insulator with a narrow indirect gap to a metal by strong spin-orbital coupling. When strain effect is considered, band inversion at time-reversal invariant point $Z$ is responsible for the topological phase transition. These nontrivial topologies are caused by two different types of band crossings. The observable topological surface states in (110) surface also support that this material experiences topological phase transition twice. The layered heterostructure with van der Waals force provides us with a new desirable platform upon which to control topological phase transition and construct topological superconductors.

关键词: topological phase transition, surface states, strain effect, heterostructure

Abstract: Based on first-principles calculations, we investigate the electronic band structures and topological properties of heterostructure BiTeCl/HfTe$_{2}$ under $c$-direction strain. In the primitive structure, this material undergoes a phase transition from an insulator with a narrow indirect gap to a metal by strong spin-orbital coupling. When strain effect is considered, band inversion at time-reversal invariant point $Z$ is responsible for the topological phase transition. These nontrivial topologies are caused by two different types of band crossings. The observable topological surface states in (110) surface also support that this material experiences topological phase transition twice. The layered heterostructure with van der Waals force provides us with a new desirable platform upon which to control topological phase transition and construct topological superconductors.

Key words: topological phase transition, surface states, strain effect, heterostructure

中图分类号: (Density functional theory, local density approximation, gradient and other corrections)

71.15.Mb

71.30.+h (Metal-insulator transitions and other electronic transitions) 73.20.At (Surface states, band structure, electron density of states) 74.78.Fk (Multilayers, superlattices, heterostructures)

Zhilei Li(李志磊), Yinxiang Li(李殷翔), Yiting Wang(王奕婷), Wenzhi Chen(陈文执), and Bin Chen(陈斌). Topological phase transition in compressed van der Waals superlattice heterostructure BiTeCl/HfTe₂[J]. 中国物理B, 2024, 33(8): 87102-087102.

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Topological phase transition in compressed van der Waals superlattice heterostructure BiTeCl/HfTe₂

Topological phase transition in compressed van der Waals superlattice heterostructure BiTeCl/HfTe₂

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