论文标题
具有辅助效果的二维半导体金属有机框架,室温铁磁性,手性铁电性,双极自旋极化和拓扑结节/点/点
Two-Dimensional Semiconducting Metal Organic Frameworks with Auxetic Effect, Room Temperature Ferrimagnetism, Chiral Ferroelectricity, Bipolar Spin Polarization and Topological Nodal Lines/Points
论文作者
论文摘要
与两个或多个功能集成的二维(2D)半导体是用于构建多功能纳米版本的基石,但在很大程度上仍然有限。在这里,通过调整有机接头的旋转状态和晶格的对称性/拓扑,我们预测2D CR(ii)五元的五元杂环金属有机框架中的前所未有的多功能半导体,具有同时具有辅助效果,室内温度效应的旋转式旋转性旋转性,吉尔斯·费罗尔(Chirodistility torredity)旋转式旋转式旋转性,吉尔斯·佩罗(Chirogity andodition torredity torredity)线/点。以2D CR(TDZ)$ _ 2 $(TDZ = 1.2.5-硫唑)作为示例,辅助效应是由抗静止 - 手工晶格结构产生的。高温铁磁性起源于Cr阳离子和TDZ Doublet自由脚阴离子之间的强D-P直接磁交换相互作用。同时,tdz偶极子的顺时针接合对准具有原子尺度的涡流 - 抗逆转录状态,从而导致独特的2D手性铁电性。 2D CR(TDZ)$ _ 2 $是一种固有的双极磁性半导体,其中可以通过施加栅极电压来诱导半金属传导,并可以诱导可开关自旋极化方向。此外,小组C $ _4 $ _4 $ _4 $ _4 $ _4 $ _ 2 cr(TDZ)$ _ 2 $的对称性具有拓扑结节线和Fermi级附近Brillouin区域的二次结节点。
Two-dimensional (2D) semiconductors integrated with two or more functions are the cornerstone for constructing multifunctional nanodevices, but remain largely limited. Here, by tuning the spin state of organic linkers and the symmetry/topology of crystal lattice, we predict a class of unprecedented multifunctional semiconductors in 2D Cr(II) five-membered heterocyclic metal organic frameworks that simultaneously possess auxetic effect, room temperature ferrimagnetism, chiral ferroe-lectricity, electrically reversible spin polarization and topological nodal lines/points. Taking 2D Cr(TDZ)$_2$ (TDZ=1.2.5-thiadiazole) as an exemplification, the auxetic effect is produced by the anti-tetra-chiral lattice structure. The high temperature ferrimagnetism originates from the strong d-p direct magnetic exchange interaction between Cr cations and TDZ doublet radical anions. Meanwhile, the clockwise-counterclockwise alignment of TDZ' dipoles results in unique 2D chiral ferroelectricity with atomic-scale vortex-antivortex states. 2D Cr(TDZ)$_2$ is an intrinsic bipolar magnetic semiconductor where half-metallic conduction with switchable spin-polarization direction can be induced by applying a gate voltage. Besides, the symmetry of the little group C$_4$ of lattice structure endows 2D Cr(TDZ)$_2$ with topological nodal lines and a quadratic nodal point in the Brillouin zone near the Fermi level.