Electronic properties and topological phases of a two-dimensional allotrope of nitrogenated carbon

Leon, A.; Orellana, W.; Suarez-Morell, E.; Pacheco, M.

Abstract

In this work we propose a two-dimensional carbon-nitrogen allotrope composed of pentagons and octagons in a structure of carbon chains bound by nitrogen dimers. Our first-principles calculations show the system behaves as a small-gap semiconductor which is thermodynamically stable at room temperature confirmed by molecular dynamic simulations. By cutting the sheet along different crystallographic directions, a variety of metallic or semiconductor one-dimensional ribbons can be obtained. We explore the topological properties of these nanoribbons finding that for a particular boundary geometry nontrivial topological phases can be obtained, depending on the ribbon termination. We investigate the emergence of symmetry protected interface topological states in heterojunctions and topological-induced edge states in finite ribbons.

Más información

Título de la Revista: Physical Review B
Volumen: 101
Editorial: American Physical Society
Fecha de publicación: 2020
Página de inicio: 085408
Página final: 085415
Idioma: English
URL: https://doi.org/10.1103/PhysRevB.101.085408
Notas: ISI, SCOPUS