TY - JOUR
T1 - Square selenene and tellurene
T2 - Novel group VI elemental 2D materials with nontrivial topological properties
AU - Xian, Lede
AU - Paz, Alejandro Pérez
AU - Bianco, Elisabeth
AU - Ajayan, Pulickel M.
AU - Rubio, Angel
N1 - Funding Information:
We acknowledge financial support from the European Research Council (ERC-2015-AdG-694097), Grupos Consolidados (IT578-13), and COST Action MP1306 (EUSpec). LX acknowledges support from the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No. 709382 (MODHET). APP acknowledges postdoctoral fellowship from the Spanish ‘Juan de la Cierva-incorporación’ program (IJCI-2014-20147). EB acknowledge the support by the National Science Foundation Graduate Research Fellowship under Grant No. (DGE-1450681).
Publisher Copyright:
© 2017 IOP Publishing Ltd.
PY - 2017/12
Y1 - 2017/12
N2 - With first principles calculations, we predict a novel stable 2D layered structure for group VI elements Se and Te that we call square selenene and square tellurene, respectively. They have chair-like buckled structures similar to other layered materials such as silicene and germanene but with a square unit cell rather than a hexagonal one. This special structure gives rise to anisotropic band dispersions near the Fermi level that can be described by a generalized semi-Dirac Hamiltonian. We show that the considerably large band gap (∼0.1 eV) opened by spin-orbit coupling makes square selenene and tellurene topological insulators, hosting non-trivial edge states. Therefore, square selenene and tellurene are promising materials for novel electronic and spintronic applications. Finally, we show that this new type of 2D elemental materials can potentially be grown on proper substrates, such as a Au(1 0 0) surface.
AB - With first principles calculations, we predict a novel stable 2D layered structure for group VI elements Se and Te that we call square selenene and square tellurene, respectively. They have chair-like buckled structures similar to other layered materials such as silicene and germanene but with a square unit cell rather than a hexagonal one. This special structure gives rise to anisotropic band dispersions near the Fermi level that can be described by a generalized semi-Dirac Hamiltonian. We show that the considerably large band gap (∼0.1 eV) opened by spin-orbit coupling makes square selenene and tellurene topological insulators, hosting non-trivial edge states. Therefore, square selenene and tellurene are promising materials for novel electronic and spintronic applications. Finally, we show that this new type of 2D elemental materials can potentially be grown on proper substrates, such as a Au(1 0 0) surface.
KW - 2D elemental materials
KW - Density functional theory calculations
KW - Semi-Dirac materials
KW - Topological insulators
UR - http://www.scopus.com/inward/record.url?scp=85030125544&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85030125544&partnerID=8YFLogxK
U2 - 10.1088/2053-1583/aa8418
DO - 10.1088/2053-1583/aa8418
M3 - Article
AN - SCOPUS:85030125544
SN - 2053-1583
VL - 4
JO - 2D Materials
JF - 2D Materials
IS - 4
M1 - 041003
ER -