Subscribe to the gold package and get unlimited access to Shamra Academy
Register a new userCarbon Kagome lattice and orbital frustration-induced metal-insulator transition for optoelectronics
170
0
0.0
(
0
)
Ask ChatGPT about the research
No Arabic abstract
A three-dimensional elemental carbon Kagome lattice (CKL), made of only fourfold coordinated carbon atoms, is proposed based on first-principles calculations. Despite the existence of 60{deg} bond angles in the triangle rings, widely perceived to be energetically unfavorable, the CKL is found to display exceptional stability comparable to that of C60. The system allows us to study the effects of triangular frustration on the electronic properties of realistic solids, and it demonstrates a metal-insulator transition from that of graphene to a direct gap semiconductor in the visible blue region. By minimizing s-p orbital hybridization, which is an intrinsic property of carbon, not only the band edge states become nearly purely frustrated p states, but also the band structure is qualitatively different from any known bulk elemental semiconductors. For example, the optical properties are similar to those of direct-gap semiconductors GaN and ZnO, whereas the effective masses are comparable or smaller than those of Si.
rate research
Read More
The flat band has attracted a lot of attention because it gives rise to many exotic phases, as recently demonstrated in magic angle twisted bilayer graphene. Here, based on first-principles calculations, we identify a metal-insulator transition in boron triangular Kagome lattice with a spin-polarized flat band at 2/3-filling. This phase transition is accompanied by the formation of a Wigner crystal, which is driven by Fermi surface nesting effect and thereby strong electron-phonon interactions, keeping ferromagnetism. Our calculation results suggest that boron triangular Kagome lattices with partially filled flat bands may open a new playground for many exotic quantum phases in two-dimensional systems, such as Winger crystallization and fractional quantum Hall states.
We investigate the bias-induced insulator-metal transition in organic electronics devices, on the basis of the Su-Schrieffer-Heeger model combined with the non-equilibrium Greens function formalism. The insulator-metal transition is explained with the energy levels crossover that eliminates the Peierls phase and delocalizes the electron states near the threshold voltage. This may account for the experimental observations on the devices that exhibit intrinsic bistable conductance switching with large on-off ratio.
The origin of ferromagnetic insulating state of La$_{7/8}$Sr$_{1/8}$MnO$_3$ is investigated. Based on the tight-binding model, it is shown that this state can be attributed to the Peierls instability arisen from the interplay of spin and orbital ordering. The importance of the hole-orbiton-phonon intercoupling in doped manganites is revealed. This picture explains well the recent experimental finding of the reentrance of ferromagnetic metal state at low temperature [Phys. Rev. Lett. 96, 097201 (2006)].
Layered kagome-lattice 3d transition metals are emerging as an exciting platform to explore the frustrated lattice geometry and quantum topology. However, the typical kagome electronic bands, characterized by sets of the Dirac-like band capped by a phase-destructive flat band, have not been clearly observed, and their orbital physics are even less well investigated. Here, we present close-to-textbook kagome bands with orbital differentiation physics in CoSn, which can be well described by a minimal tight-binding model with single-orbital hopping in Co kagome lattice. The capping flat bands with bandwidth less than 0.2 eV run through the whole Brillouin zone, especially the bandwidth of the flat band of out-of-plane orbitals is less than 0.02 eV along G-M. The energy gap induced by spin-orbit interaction at the Dirac cone of out-of-plane orbitals is much smaller than that of in-plane orbitals, suggesting orbital-selective character of the Dirac fermions.
The criticality of vacancy-induced metal-insulator transition (MIT) in graphene is investigated by Kubo-Greenwood formula with tight-binding recursion method. The critical vacancy concentration for the MIT is determined to be 0.053%. The scaling laws for transport properties near the critical point are examined showing several unconventional 2D localization behaviors. Our theoretical results have shed some new lights to the understanding of recent experiments in H-dosed graphene and of 2D disordered systems in general.
Log in to be able to interact and post comments
comments
Fetching comments
Sign in to be able to follow your search criteria
