Robust large-gap topological insulator phase in transition-metal chalcogenide ZrTe${}_4$Se

Xing Wang, Wenhui Wan, Yanfeng Ge +1

Based on density functional theory (DFT), we investigate the electronic properties of bulk and single-layer ZrTe${}_4$Se. The band structure of bulk ZrTe${}_4$Se can produce a semimeta…