Related papers: Computational study of optical absorption spectra …
Simulations are used to examine the microscopic origins of strain hardening in polymer glasses. While traditional entropic network models can be fit to the total stress, their underlying assumptions are inconsistent with simulation results.…
The laser spectroscopy is a fundamental approach for the realisation of traceable optical frequency standards. In the $1.55\,\mu$m wavelength band, widely used in telecommunications, the acetylene is the typical and the most widespread…
Strain has a strong effect on the properties of materials and the performance of electronic devices. Their ever shrinking size translates into a constant demand for accurate and precise measurement methods with very high spatial resolution.…
Successful isolation of graphene from graphite opened a new era for material science and con- densed matter physics. Due to this remarkable achievement, there has been an immense interest to synthesize new two dimensional materials and to…
We propose a spectroscopic method of identifying broken symmetry states of bilayer graphene. We demonstrate theoretically that, in contrast to gapped states, a strained bilayer crystal or nematic phase of the electronic liquid are…
The influence of solubilizing substitutional groups on the electronic and optical properties of functionalized pentacene molecules and crystals have been investigated. Density functional theory is used to calculate the electronic and…
We theoretically study dynamical excitonic condensates occurring in bilayers with an imposed chemical potential difference and in photodoped semiconductors. We show that optical spectroscopy can experimentally identify phase-trapped and…
We have investigated the simultaneous absorption of near-infrared photons by pairs of neighboring molecules in liquid methanol. Simultaneous absorption by two OH-stretching modes is found to occur at an energy higher than the sum of the two…
We demonstrate through numerical simulations with real data the feasibility of using compressive sensing techniques for the acquisition of spectro-polarimetric data. This allows us to combine the measurement and the compression process into…
Graphene is the extreme material for molecular sensory and hydrogen storage applications because of its two-dimensional geometry and unique structure-property relationship. In this Letter, hydrogenation of graphene is discussed in the…
In this paper, we perform large-scale electron-correlated calculations of optoelectronic properties of rectangular graphene-like polycyclic aromatic hydrocarbon molecules. Theoretical methodology employed in this work is based upon…
The electronic and optical properties of mono, di, tri, and tetravacancies in graphene are studied in comparison to each other, using density functional theory. In addition, oxidized monovacancies are considered for different oxygen…
Structural and optical studies have been performed on the thermally-evaporated "as-deposited" and "humid air aged" CsI thin films. The structural analysis for both "as-deposited" and "humid air aged" films shows a well-oriented peaks…
Light rays incident on a transparent object of uniform refractive index undergo deflections, which uniquely characterize the surface geometry of the object. Associated with each point on the surface is a deflection map (or spectrum) which…
Pristine graphene is not suitable for hydrogen storage at ambient conditions since it binds the hydrogen molecules only by van der Waals interactions. However, the adsorption energy of the hydrogen molecules can be improved by doping or…
The generalized tight-binding model, with the exact diagonalization method, is developed to investigate optical properties of graphene in five kinds of external fields. The quite large Hamiltonian matrix is transferred into the band-like…
Optical tweezers find applications in various fields, ranging from biology to physics. One of the fundamental steps necessary to perform quantitative measurements using trapped particles is the calibration of the tweezer's spring constant.…
We investigate the optical absorption and transmission of few-layer phosphorene in the framework of ab initio density functional simulations and many-body perturbation theory at the level of random phase approximation. In bilayer…
The infrared absorption spectra of ABC-stacking tri- and tetra-layer graphenes are studied using the density functional theory. It is found that they exhibit very different characteristic peaks compared with those of AB-stacking ones,…
The anchoring of benzene molecules on lithium adsorption sites at the surface of graphene and nanoribbons thereof are investigated. The effects of adsorbate densities, specific adsorption locations, and spin states on the structural…