Evolution of Band Topology by Competing Band Overlap and Spin-Orbit Coupling: Twin Dirac Cones in Ba3SnO as a Prototype
Evolution of Band Topology by Competing Band Overlap and Spin-Orbit Coupling: Twin Dirac Cones in Ba3SnO as a Prototype
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通过竞争能带重叠和自旋轨道耦合的能带拓扑演化：以 Ba3SnO 中的双狄拉克锥为原型
DOI：
10.1103/physrevmaterials.1.061201
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发表时间：
2017
影响因子：
3.4
通讯作者：
and Masao Ogata
中科院分区：
文献类型：
--
作者：
Toshikaze Kariyado;and Masao Ogata
以反钙钛矿为原型材料，从理论上论证了能带反转和自旋轨道耦合（SOC）之间的竞争如何导致能带拓扑的非平凡演化。一个关键的观察是，当带反转占主导地位的SOC，出现“双”狄拉克锥的能带结构。由于双狄拉克锥，该带显示出非常特殊的结构，其中一个双晶的上锥不断地转变为另一个双晶的下锥。有趣的是，在该系列反钙钛矿中，带反转和SOC的相对大小通过（Ca，Sr，Ba）和/或（Sn，Pb）原子的取代来控制。一个有效的模型的分析表明，双狄拉克锥的出现是普遍的，这使得我们的论点找到一个有希望的起点，由竞争带反转和SOC引起的奇异带结构。
We theoretically demonstrate how competition between band inversion and spin-orbit coupling (SOC) results in nontrivial evolution of band topology, taking antiperovskiteas a prototype material. A key observation is that when the band inversion dominates over SOC, there appear “twin” Dirac cones in the band structure. Due to the twin Dirac cones, the band shows highly peculiar structure in which the upper cone of one of the twin continuously transforms to the lower cone of the other. Interestingly, the relative size of the band inversion and SOC is controlled in this series of antiperovskiteby substitution of(Ca, Sr, Ba) and/or(Sn, Pb) atoms. Analysis of an effective model shows that the emergence of twin Dirac cones is general, which makes our argument a promising starting point for finding a singular band structure induced by the competing band inversion and SOC.