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Drumhead surface states and topological nodal-line fermions in TlTaSe2

机译:TlTaSe2中的鼓面表面状态和拓扑结线费米子

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A topological nodal-line semimetal is a state of matter with one-dimensional bulk nodal lines and two-dimensional so-called drumhead surface bands. Based on first-principles calculations and an effective k.p model, we theoretically propose the existence of topological nodal-line fermions in the ternary transition-metal chalcogenide TlTaSe2. The noncentrosymmetric structure and strong spin-orbit coupling give rise to spinful nodal-line bulk states which are protected by a mirror reflection symmetry of this compound. This is remarkably distinguished from other proposed nodal-line semimetals such as Cu3NPb(Zn) in which the nodal line exists only in the limit of vanishing spin-orbit coupling and thus is not as robust. In addition, we show that the drumhead surface states in TlTaSe2, which are associated with the topological nodal lines, exhibit an unconventional chiral spin texture and an exotic Lifshitz transition as a consequence of the linkage among multiple drumhead surface-state pockets.
机译:拓扑节点线半金属是具有一维块状节点线和二维所谓的鼓面表面带的物质状态。基于第一性原理计算和有效的k.p模型,我们从理论上提出了三元过渡金属硫族化物TlTaSe2中存在拓扑结线费米子。非中心对称结构和强自旋轨道耦合产生了多旋的节线整体状态,该状态由该化合物的镜面反射对称性保护。这与其他提议的节点线半金属(例如Cu3NPb(Zn))明显不同,在这些节点中,节点线仅存在于自旋轨道耦合消失的范围内,因此不那么坚固。此外,我们显示,TlTaSe2中的鼓面表面状态与拓扑结点线相关,由于多个鼓面表面状态口袋之间的联系而表现出非常规的手性自旋织构和奇异的Lifshitz过渡。

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