二维金属有机框架中的电子学：双Dirac锥、磁半Dirac锥和量子反常霍尔效应
Conetronics in 2D Metal-Organic Frameworks: Double Dirac Cones, Magnetic Half Dirac Cones and Quantum Anomalous Hall Effect
摘要：
基于最近合成的Ni_3C_（12）S_（12）类二维金属有机骨架，我们预测了M_3C_（12）S_（12）和M_3C_（12）O_（12）的电子性质，其中M为Zn，Cd，Hg，Be，Mg，M轨道对费米能级附近的能带没有贡献.对于M3 C 12 S 12，它们的能带结构表现为具有不同费米速度的双狄拉克锥，分别为n型和p型，它们可以通过百分之几的应变进行切换。两个锥体的交叉被保护为非杂交，导致在2D节点线半金属中在相同的k点处的两个独立的通道，类似于自旋电子学中的自旋通道，使得conetronics器件成为可能。节点线环正好在它们的交叉点处，它们在费米能级处既是电子袋又是空穴袋，由于完美的n-p补偿，可以产生当磁场无限大时不会饱和的磁阻。对于M3 C12 O 12，连同共轭金属-三儿茶酚聚合物M3（HHTP）2，自旋极化慢狄拉克锥中心精确地钉扎在费米能级，使得系统仅在一个自旋或锥通道中传导。量子反常霍尔效应可以出现在具有不可忽略的自旋轨道耦合的MOFs中，如Cu_3C_（12）O_（12）。具有不同M的M3 C12 S12和M3 C12 O 12的化合物可用于构建自旋电子和锥选择异质结构器件，可通过应变或静电门控来调节。
英文摘要：
Based on recently synthesized Ni3C12S12 class 2D metal-organic frameworks, we predict electronic properties of M3C12S12 and M3C12O12, where M is Zn, Cd, Hg, Be, or Mg with no M orbital contributions to bands near Fermi level. For M3C12S12, their band structures exhibit double Dirac cones with different Fermi velocities that are n and p type, respectively, which are switchable by few-percent strain. The crossing of two cones are symmetry-protected to be non-hybridizing, leading to two independent channels in 2D node-line semimetals at the same k-point akin to spin-channels in spintronics, rendering conetronics device possible. The node line rings right at their crossing, which are both electron and hole pockets at the Fermi level, can give rise to magnetoresistance that will not saturate when the magnetic field is infinitely large, due to perfect n-p compensation. For M3C12O12, together with conjugated metal-tricatecholate polymers M3(HHTP)2, the spin-polarized slow Dirac cone center is pinned precisely at the Fermi level, making the systems conducting in only one spin or cone channel. Quantum anomalous Hall effect can arise in MOFs with non-negligible spin-orbit coupling like Cu3C12O12. Compounds of M3C12S12 and M3C12O12 with different M, can be used to build spintronic and cone-selecting heterostructure devices, tunable by strain or electrostatic gating.
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