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By means of ternary chemical potential phase diagram and phonon spectrumcalculations, we propose that $M$Tl$_4$Te$_3$ ($M$ = Cd, Hg), the derivativesof Tl$_5$Te$_3$, are thermodynamically and dynamically stable in the bodycentered tetragonal crystal structure with $I$4/$mcm$ symmetry. Our electronicstructures calculations confirm that a robust $s$-$p$ band inversion occursnear the Fermi level in $M$Tl$_4$Te$_3$, and a topological band gap about 0.13eV in CdTl$_4$Te$_3$ is induced by the spin-orbit coupling. These resultssuggest that $M$Tl$_4$Te$_3$ are a new class of large band gap 3D strongtopological insulators that are stable and synthesizable in experiments, whichcould be used to design efficient spin torque equipment and spin device.

Electronic structures and stability investigation of the new class of large band gap topological insulators MTl$_4$Te$_3$ (M = Cd, Hg)