scholarly journals First-principles design of a half-filled flat band of the kagome lattice in two-dimensional metal-organic frameworks

2016 ◽  
Vol 94 (8) ◽  
Author(s):  
Masahiko G. Yamada ◽  
Tomohiro Soejima ◽  
Naoto Tsuji ◽  
Daisuke Hirai ◽  
Mircea Dincă ◽  
...  
2020 ◽  
Vol 10 (1) ◽  
Author(s):  
Seunghyun Park ◽  
Soonmin Kang ◽  
Haeri Kim ◽  
Ki Hoon Lee ◽  
Pilkwang Kim ◽  
...  

AbstractWith the advanced investigations into low-dimensional systems, it has become essential to find materials having interesting lattices that can be exfoliated down to monolayer. One particular important structure is a kagome lattice with its potentially diverse and vibrant physics. We report a van-der-Waals kagome lattice material, Pd3P2S8, with several unique properties such as an intriguing flat band. The flat band is shown to arise from a possible compact-localized state of all five 4d orbitals of Pd. The diamagnetic susceptibility is precisely measured to support the calculated susceptibility obtained from the band structure. We further demonstrate that Pd3P2S8 can be exfoliated down to monolayer, which ultimately will allow the possible control of the localized states in this two-dimensional kagome lattice using the electric field gating.


2015 ◽  
Vol 17 (2) ◽  
pp. 1093-1098 ◽  
Author(s):  
Sheng-Yi Xie ◽  
Xian-Bin Li ◽  
Wei Quan Tian ◽  
Nian-Ke Chen ◽  
Yeliang Wang ◽  
...  

Based on first-principles calculations, we designed for the first time a boron-kagome-based two-dimensional MgB6 crystal, in which two boron kagome layers sandwich a triangular magnesium layer.


2018 ◽  
Vol 4 (11) ◽  
pp. eaau4511 ◽  
Author(s):  
Zhi Li ◽  
Jincheng Zhuang ◽  
Li Wang ◽  
Haifeng Feng ◽  
Qian Gao ◽  
...  

The energy dispersion of fermions or bosons vanishes in momentum space if destructive quantum interference occurs in a frustrated Kagome lattice with only nearest-neighbor hopping. A discrete flat band (FB) without any dispersion is consequently formed, promising the emergence of fractional quantum Hall states at high temperatures. Here, we report the experimental realization of an FB with possible nontrivial topology in an electronic Kagome lattice on twisted multilayer silicene. Because of the unique low-buckled two-dimensional structure of silicene, a robust electronic Kagome lattice has been successfully induced by moiré patterns after twisting the silicene multilayers. The electrons are localized in the Kagome lattice because of quantum destructive interference, and thus, their kinetic energy is quenched, which gives rise to an FB peak in the density of states. A robust and pronounced one-dimensional edge state has been revealed at the Kagome edge, which resides at higher energy than the FB. Our observations of the FB and the exotic edge state in electronic Kagome lattice open up the possibility that fractional Chern insulators could be realized in two-dimensional materials.


2019 ◽  
Vol 9 (1) ◽  
Author(s):  
Santu Baidya ◽  
Seungjin Kang ◽  
Choong H. Kim ◽  
Jaejun Yu

Abstract Based on first-principles density-functional theory (DFT) calculations, we report that the transition-metal bis-dithiolene, M3C12S12 (M = Mn and Fe), complexes can be a two-dimensional (2D) ferromagnetic insulator with nontrivial Chern number. Among various synthetic pathways leading to metal bis-dithiolenes, the simplest choice of ligand, Benzene-hexathiol, connecting metal cations to form a Kagome lattice is studied following the experimental report of time-reversal symmetric isostructural compound Ni3C12S12. We show sulfur and carbon-based ligands play the key role in making the complexes topologically nontrivial. An unusual topological quantum phase transition induced by the on-site Coulomb interaction brings a nearly flat band with a nonzero Chern number as the highest occupied band. With this analysis we explain the electronic structure of the class M3C12S12 and predict the existence of nearly flat band with nonzero Chern number and it can be a fractional Chern insulator candidate with carrier doping.


Author(s):  
Pubudu G. Wijesinghe ◽  
K.A.I.L. Wijewardena Gamalath

Motivated by recent experimental progress, we study the quantum transport properties of two-dimensional electron gases under high perpendicular magnetic fields. We use a simple tight-binding model to model the system and open-source software to simulate quantum electronic transport properties such as band structure variations and conductance-flux relationships in such systems. Dependence of quantum transport properties on two-dimensional square, triangular and kagome lattice shapes were studied adding a Gaussian noise to account for the impurities. Numerical simulations are presented to predict the emergence of physical effects related to quantum Hall effect, such as the existence of Landau levels and edge states. The kagome lattice exhibits a different band structure giving rise to a flat band, due to its trihexagonal geometry. The peak conductance value increases with decreasing lattice constant due to higher transmission probability. The transport properties vary significantly with lattice geometries, both with the lattice type and the lattice constant.


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