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Electronic properties of 8-Pmmn borophene

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 Publication date 2016
  fields Physics
and research's language is English




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First-principles calculations on monolayer 8-{it Pmmn} borophene are reported to reveal unprecedented electronic properties in a two-dimensional material. Based on a Born effective charge analysis, 8-{it Pmmn} borophene is the first single-element based monolayered material exhibiting two sublattices with substantial ionic features. The observed Dirac cones are actually formed by the p$_z$ orbitals of one of the inequivalent sublattices composed of uniquely four atoms, yielding an underlying hexagonal network topologically equivalent to distorted graphene. A significant physical outcome of this effect includes the possibility of converting metallic 8-{it Pmmn} borophene into an indirect band gap semiconductor by means of external shear stress. The stability of the strained structures are supported by a phonon frequency analysis. The Dirac cones are sensitive to the formation of vacancies only in the inequivalent sublattice electronically active at the Fermi level.



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As a new two-dimensional Dirac material, 8-textit{Pmmn} borophene hosts novel anisotropic and tilted massless Dirac fermions (MDFs) and has attracted increasing interest. However, the potential application of 8-textit{Pmmn} borophene in spin fields has not been explored. Here, we study the long-range RKKY interaction mediated by anisotropic and tilted MDFs in magnetically-doped 8-textit{Pmmn} borophene. To this aim, we carefully analyze the unique real-space propagation of anisotropic and tilted MDFs with noncolinear momenta and group velocities. As a result, we analytically demonstrate the anisotropic behaviors of long-range RKKY interaction, which have no dependence on the Fermi level but are velocity-determined, i.e., the anisotropy degrees of oscillation period and envelop amplitude are determined by the anisotropic and tilted velocities. The velocity-determined RKKY interaction favors to fully determine the characteristic velocities of anisotropic and tilted MDFs through its measurement, and has high tunability by engineering velocities shedding light on the application of 8-textit{Pmmn} borophene in spin fields.
We report first principle calculations of electronic and mechanical properties of few-layer borophene with the inclusion of interlayer van der Waals (vdW) interaction. The anisotropic metallic behaviors are preserved from monolayer to few-layer structures. The energy splitting of bilayer borophene at $Gamma$ point near the Fermi level is about 1.7 eV, much larger than the values (0.5--1 eV) of other layered semiconductors, indicating much stronger vdW interactions in metallic layered borophene. In particular, the critical strains are enhanced by increasing the number of layers, leading to much more flexibility than that of monolayer structure. On the one hand, because of the buckled atomic structures, the out-of-plane negative Poissons ratios are preserved as the layer-number increases. On the other hand, we find that the in-plane negative Poissons ratios disappear in layered borophene, which is very different from puckered black phosphorus. The negative Poissons ratio will recover if we enlarge the interlayer distance to 6.3 $mboxAA$, indicating that the physical origin behind the change of Poissons ratios is the strong interlayer vdW interactions in layered borophene.
125 - Shu-Hui Zhang , Wen Yang 2019
Negative refraction usually demands complex structure engineering while it is very natural for massless Dirac fermions (MDFs) across the textit{p-n} junction, this leads to Dirac electron optics. The emergent Dirac materials may exhibit hitherto unidentified phenomenon due to their nontrivial band structures in contrast to the isotropic MDFs in graphene. Here, as a specific example, we explore the negative refraction induced caustics and Veselago focusing of tilted MDFs across 8-textit{Pmmn} borophene textit{p-n} junctions. To this aim, we develop a technique to effectively construct the electronic Greens function in textit{p-n} junctions with arbitrary junction directions. Based on analytical discussions and numerical calculations, we demonstrate the strong dependence of interference pattern on the junction direction. As the junction direction perpendicular to the tilt direction, Veselago focusing or normal caustics (similar to that in graphene) appears resting on the doping configuration of the textit{p-n} junctions, otherwise anomalous caustics (different from that in graphene) occurs which is manipulated by the junction direction and the doping configuration. Finally, the developed Greens function technique is generally promising to uncover the unique transport of emergent MDFs, and the discovered anomalous caustics makes tilted MDFs potential applications in Dirac electron optics.
100 - Zhan Kong , Jian Li , Yi Zhang 2021
The tunneling of electrons and holes in quantum structures plays a crucial role in studying the transport properties of materials and the related devices. 8-Pmmn borophene is a new two-dimensional Dirac material, which hosts tilted Dirac cone and chiral, anisotropic massless Dirac fermions. We develop the transfer matrix method to investigate the Klein tunneling of massless fermions across the smooth NP junctions and NPN junctions of 8-Pmmn borophene. Like the sharp NP junctions of 8-Pmmn borophene, the tilted Dirac cones induce the oblique Klein tunneling. The angle of perfect transmission to the normal incidence is 20.4 degrees, a constant determined by the Hamiltonian of 8-Pmmn borophene. For the NPN junction, there are branches of the Klein tunneling in the phase diagram. We find that the asymmetric Klein tunneling is induced by the chirality and anisotropy of the carriers. Furthermore, we show the oscillation of electrical resistance related to the Klein tunneling in the NPN junctions. One may analyze the pattern of electrical resistance and verify the existence of asymmetric Klein tunneling experimentally.
Honeycomb structures of group IV elements can host massless Dirac fermions with non-trivial Berry phases. Their potential for electronic applications has attracted great interest and spurred a broad search for new Dirac materials especially in monolayer structures. We present a detailed investigation of the beta 12 boron sheet, which is a borophene structure that can form spontaneously on a Ag(111) surface. Our tight-binding analysis revealed that the lattice of the beta 12-sheet could be decomposed into two triangular sublattices in a way similar to that for a honeycomb lattice, thereby hosting Dirac cones. Furthermore, each Dirac cone could be split by introducing periodic perturbations representing overlayer-substrate interactions. These unusual electronic structures were confirmed by angle-resolved photoemission spectroscopy and validated by first-principles calculations. Our results suggest monolayer boron as a new platform for realizing novel high-speed low-dissipation devices.
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