论文标题
电子结构和稳定性调查大型带隙拓扑拓扑器的新等级MTL $ _4 $ TE $ _3 $（M = CD，HG）
Electronic structures and stability investigation of the new class of large band gap topological insulators MTl$_4$Te$_3$ (M = Cd, Hg)
论文作者
论文摘要
通过三元化学势相图和声子频谱计算，我们建议$ m $ tl $ _4 $ _4 $ te $ _3 $（$ m $ = cd，hg），TL $ _5 $ _5 $ _5 $ te $ _3 $的衍生物是热力学和动态稳定的，它在身体中心的Tetragon Crystal Crystal Crystal Crystal Crystal Crystal Crystal Crystal Crystal Cyntal -$ $ $ 4/$ 4//$ 4/4//4//$ 4//4//$ 4//$ 4/$ 4/我们的电子结构计算证实，强劲的$ S $ -P $ band band反转发生在费米水平附近，$ m $ tl $ _4 $ _4 $ te $ _3 $，以及CDTL $ _4 $ _4 $ TE $ _3 $ _3 $的拓扑频段差距约为0.13 ev。这些结果表明，$ m $ tl $ _4 $ te $ _3 $是一类新的大带隙3D强拓扑绝缘子，在实验中是稳定且可合成的，可用于设计有效的旋转扭矩设备和旋转设备。
By means of ternary chemical potential phase diagram and phonon spectrum calculations, we propose that $M$Tl$_4$Te$_3$ ($M$ = Cd, Hg), the derivatives of Tl$_5$Te$_3$, are thermodynamically and dynamically stable in the body centered tetragonal crystal structure with $I$4/$mcm$ symmetry. Our electronic structures calculations confirm that a robust $s$-$p$ band inversion occurs near the Fermi level in $M$Tl$_4$Te$_3$, and a topological band gap about 0.13 eV in CdTl$_4$Te$_3$ is induced by the spin-orbit coupling. These results suggest that $M$Tl$_4$Te$_3$ are a new class of large band gap 3D strong topological insulators that are stable and synthesizable in experiments, which could be used to design efficient spin torque equipment and spin device.
