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Register a new userComputing Optical Properties of Ultra-thin Crystals
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An overview is given of recent advances in experimental and theoretical understanding of optical properties of ultra-thin crystal structures (graphene, phosphorene, silicene, MoS2, MoSe2 , WS2 , WSe2 , h-AlN, h-BN, fluorographene, graphane). Ultra-thin crystals are atomically-thick layered crystals that have unique properties which differ from their 3D counterpart. Because of the difficulties in the synthesis of few-atom-thick crystal structures, which are thought to be the main building blocks of future nanotechnology, reliable theoretical predictions of their electronic, vibrational and optical properties are of great importance. Recent studies revealed the reliable predictive power of existing theoretical approaches based on density functional theory (DFT).
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Starting from a three dimensional Hamiltonian, we study the optical properties of ultra-thin topological insulator slabs for which the coupling between Dirac fermions on opposite surfaces results in two degenerated gapped hyperbolic bands. The gap is a threshold for the optical absorption and translates in a peak in the imaginary part of the optical conductivity. An exchange field applied perpendicular to the slab splits the degenerated hyperbolic bands and a double step structure come out in the optical absorption, whereas a double peak structure appears in the imaginary part of the longitudinal optical conductivity. The exchange field breaks time-reversal symmetry and for exchange fields larger than the surfaces coupling gap, the zero frequency Hall conductivity is quantized to $e^2/h$. This result implies large values of the Kerr and Faraday rotation angles. In ultra-thin slabs, the absence of light multiple scattering and bulk conductivity, makes the Kerr and Faradays angles to remain rather large in a wide range of frequencies.
We report low-temperature measurements of current-voltage characteristics for highly conductive Nb/Al-AlOx-Nb junctions with thicknesses of the Al interlayer ranging from 40 to 150 nm and ultra-thin barriers formed by diffusive oxidation of the Al surface. In the superconducting state these devices have revealed a strong subgap current leakage. Analyzing Cooper-pair and quasiparticle currents across the devices, we conclude that the strong suppression of the subgap resistance comparing with conventional tunnel junctions originates from a universal bimodal distribution of transparencies across the Al-oxide barrier proposed earlier by Schep and Bauer. We suggest a simple physical explanation of its source in the nanometer-thick oxide films relating it to strong local barrier-height fluctuations which are generated by oxygen vacancies in thin aluminum oxide tunnel barriers formed by thermal oxidation.
Control over the electronic spectrum at low energy is at the heart of the functioning of modern advanced electronics: high electron mobility transistors, semiconductor and Capasso terahertz lasers, and many others. Most of those devices rely on the meticulous engineering of the size quantization of electrons in quantum wells. This avenue, however, hasnt been explored in the case of 2D materials. Here we transfer this concept onto the van der Waals heterostructures which utilize few-layers films of InSe as quantum wells. The precise control over the energy of the subbands and their uniformity guarantees extremely high quality of the electronic transport in such systems. Using novel tunnelling and light emitting devices, for the first time we reveal the full subbands structure by studying resonance features in the tunnelling current, photoabsorption and light emission. In the future, these systems will allow development of elementary blocks for atomically thin infrared and THz light sources based on intersubband optical transitions in few-layer films of van der Waals materials.
Few-layer flakes of hexagonal boron nitride were prepared by ultrasonication of bulk crystals and agglomerated to form thin films. The transmission and reflection spectra of the thin films were measured. The spectral dependences of the linear and circular polarization revealed a hidden anisotropy of the films over the whole sample area which could not be explained by the anisotropy of the chaotically-oriented individual particles. Statistical analysis of optical microscopy images showed a macroscopic particle density distribution with ordering corresponding to the optical axis observed in the polarization data.
Structures and electronic properties of rhombohedral [111] and [110] bismuth nanowires are calculated with the use of density functional theory. The formation of an energy band gap from quantum confinement is studied and to improve estimates for the band gap the GW approximation is applied. The [111] oriented nanowires require surface bonds to be chemically saturated to avoid formation of metallic surface states whereas the surface of the [110] nanowires do not support metallic surface states. It is found that the onset of quantum confinement in the surface passivated [111] nanowires occurs at larger critical dimensions than for the [110] nanowires. For the [111] oriented nanowires it is predicted that a band gap of approximately 0.5 eV can be formed at a diameter of approximately 6 nm, whereas for the [110] oriented nanowires a diameter of approximately 3 nm is required to achieve a similar band gap energy. The GW correction is also applied to estimates of the electron affinity, ionisation potentials and work functions for both orientations of the nanowires for various diameters below 5 nm. The magnitude of the energy band gaps that arise in bismuth at critical dimensions of a few nanometers are of the same order as for conventional bulk semiconductors.
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