Activation of topological insulator phase in kagomé-type bilayers by interlayer coupling: the cases of Ni(CO)4 and Pd(CO)4
Carregando...
Data
Título da Revista
ISSN da Revista
Título de Volume
Editor
Universidade Federal de Minas Gerais
Descrição
Tipo
Artigo de periódico
Título alternativo
Primeiro orientador
Membros da banca
Resumo
We predict that a 2D kagomé-type topological insulator (TI) can be built as a bilayer of a single-layer material that is not a TI. We demonstrate this through first-principles calculations of a class of C6 O6 and C6ðNHÞ6 based 2D metal-organic frameworks. We find that minimum-energy bilayers of two compounds of this class, with stoichiometries NiðCOÞ4 and PdðCOÞ4 , are intrinsic topological insulators although
their isolated single-layer components are trivial metals. The first-principles results for the single-layer and bilayer systems are reproduced by
tight-binding models. The simplicity of the models suggests that other bilayer TI systems of this type should exist, not necessarily composed
of metal-organic frameworks, as long as they are composed of kagomé-type systems in a AA stacking.
Abstract
Assunto
Teoria do funcional da densidade, Isoladores topológicos
Palavras-chave
Density functional theory, Tight-binding model, First-principle calculations, Quantum Hall effect, 2D materials, Topological insulator
Citação
Departamento
Curso
Endereço externo
https://pubs.aip.org/aip/apl/article/116/10/103103/38794/Activation-of-topological-insulator-phase-in