Jump to main content
Jump to site search


Oxygen functionalized TlTe buckled honeycomb from first-principles study

Abstract

A sizable band gap is crucial for the applications of topological insulators at room temperature. By first-principles calculations, we find that oxygen functionalized TlTe buckled honeycomb, namely TlTeO, possesses quantum spin Hall (QSH) state with sizable band gap of 0.124 eV, which owns potential applications at room temperature. The QSH phase of TlTeO arises from the SOC induced p-p band gap opening. In addition, the QSH phase is further confirmed by topological invariant Z2 and gapless edge state in bulk gap. Significantly, the QSH phase is robustly against external strain and more than 75% oxygen coverage, making the QSH effect of TlTeO easy to be achieved experimentally. Thus, the oxygen functionalized TlTeO film is a fine candidate material for topological device design and fabrication.

Back to tab navigation

Supplementary files

Publication details

The article was received on 25 Nov 2018, accepted on 12 Feb 2019 and first published on 12 Feb 2019


Article type: Paper
DOI: 10.1039/C8CP07246A
Citation: Phys. Chem. Chem. Phys., 2019, Accepted Manuscript

  •   Request permissions

    Oxygen functionalized TlTe buckled honeycomb from first-principles study

    Q. Lu, Y. Wen, Z. Zeng, X. Chen and Q. Chen, Phys. Chem. Chem. Phys., 2019, Accepted Manuscript , DOI: 10.1039/C8CP07246A

Search articles by author

Spotlight

Advertisements