通过原子操纵调节Dirac锥的倾斜:在8Pmmn硼烯中的应用
Tunning the tilt of a Dirac cone by atomic manipulations: application to 8Pmmn borophene
AI总结:
该研究通过ab-initio计算揭示了8Pmmn硼烯中Dirac锥倾斜的微观机制,发现可通过原子操纵分子轨道来调节倾斜,为在环境条件下制造涌现时空结构和控制电子运动提供了新视角。
摘要:
我们破译了$8Pmmn$硼烯二维Dirac锥中倾斜形成的微观机制。在我们的ab-initio计算中,我们识别了$8Pmmn$晶格上相关的低能自由度,并发现这些原子轨道位于有效的蜂窝状晶格(内部位点)上,而高能自由度则位于$8Pmmn$晶格的其余部分(脊位点)上。积分掉高能原子轨道后,在内部位点的粗粒化“蜂窝图”上产生了显著大的有效次近邻跃迁,这些跃迁决定了Dirac锥的位置和倾斜。分子轨道——可以通过原子操纵来改变——负责在蜂窝图上创建次近邻边,从而控制所产生Dirac锥的倾斜。这导致在母蜂窝图上形成了一个有效的紧束缚模型,便于对倾斜Dirac锥费米子的各种效应(如无序/相互作用/对称性破缺)进行数值建模。由于倾斜是时空度规的代理,我们的结果为在环境条件下制造所需的涌现时空结构和合成几何力提供了一个稳健的视角,这可能会增强我们对电子在电学/光学器件中运动的控制。
英文摘要:
We decipher the microscopic mechanism of the formation of tilt in the two-dimensional Dirac cone of $8Pmmn$ borphene. In our ab-initio calculations, we identify relevant low-energy degrees of freedom on the $8Pmmn$ lattice and find that these atomic orbitals reside on an effective honeycomb lattice (inner sites), while the high-energy degrees of freedom reside on the rest of the $8Pmmn$ lattice (ridge sites). Integrating out the high-energy atomic orbitals, gives rise to remarkably large effective further neighbor hoppings on the coarse grained "honeycomb graph" of inner sites that determine the location and tilt of the Dirac cone. Molecular orbitals -- that can be modified by atomic manipulations -- are responsible for the creation of further neighbor edges on the honeycomb graph that controls the tilt of the resulting Dirac cone. This leads to an effective tight-binding model on a parent honeycomb graph that facilitates numerical modeling of various effects such as disorder/interactions/symmetry-breaking for tilted Dirac cone fermions. Since the tilt is a proxy to spacetime metric, our result offers a robust perspective on the fabrication of desired emergent spacetime structure and synthesis of geometric forces at ambient conditions that are likely to enhance our control on the movement of electrons in electric/optical devices.
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