Topological properties of the intermetallic compounds Sc-TM(TM = Cd, Ag, Cu, Hg, Au) AITranslate

Basic Information:

DOI：https://doi.org/10.1016/j.commatsci.2018.12.047

Chinese Library Classification Number:

Citation Information:

Highlights • Inter-metal compounds ScTM are nodal-line semimetal. • Inter-metal compounds ScTM become topological insulators including spin orbit coupling. • Nodal lines are on the Brillouin-Zone surfaces. We studied the electronic structure and topological properties of the intermetallic compounds (IMCs) Sc-TM (TM = Cd, Ag, Cu, Hg, Au), by using the first-principle calculations. We find that these IMCs are topologically nontrivial Multi-Nodal-Lines semimetals in the absence of the spin-orbit coupling (SOC). Unlike the previously reported nodal-line semimetals with nodal-lines inside their Brillouin-zones (BZ), the nodal-lines of the Sc-TM IMCs lie on six BZ surfaces, protected by the space inversion and time-reversal symmetries. The nodal-line induced drumhead liked surface states are obtained on the (0 0 1)-surface. When the SOC is included, a small band gap opens along the nodal lines. This indicates that these IMCs become topological insulators (TIs), on contrary to the general expectation that IMCs will be metals. Graphical abstract Download : Download high-res image (238KB) Download : Download full-size image