Materials Literature
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We propose to use the near-threshold electron scattering data for atoms to guide the reliable experimental determination of their electron affinities (EAs), extracted using the Wigner Threshold Law, from laser photodetachment threshold spectroscopy measurements. Data from the near-threshold electron elastic scattering…
Single charge nanoscale detection in ambient conditions is a current frontier in metrology that has diverse interdisciplinary applications. Here, such single charge detection is demonstrated using two nitrogen-vacancy (NV) centers in diamond. One NV center is employed as a sensitive electrometer to detect the change i…
Based on the density functional theory (DFT), the first-principles methods are used to study and compare the electronic structures and optical properties of Mg-, Sr-doped CaF 2 systems with those of CaF 2 bulk in detail. In contrast to CaF 2 bulk, the band gaps of doped systems become narrower and the new peaks of den…
Abstract Polymer brushes are representing a versatile tool to adjust and control surface phenomena like wetting, adsorption and adhesion. Moreover, certain complementary surface modification methods can support improving their intended applications. A promising strategy is the combination of the grafting-to method und…
The Packaging Surveillance Program section of the DOE M441.1-1/sup>1, Nuclear Material Packaging Manual (DOE, 2008) requires DOE contractors to “ensure that a surveillance program is established and implemented to ensure the nuclear material storage package continues to meet its design criteria.” In order to ensure co…
We describe a scheme for efficient large-scale electronic-structure calculations based on the combination of the pole expansion and selected inversion (PEXSI) technique with the SIESTA method, which uses numerical atomic orbitals within the Kohn–Sham density functional theory (KSDFT) framework. The PEXSI technique can…
Abstract The manipulation of magnetic ordering with applied electric fields is of pressing interest for new magnetoelectric devices and information storage applications. Recently, such magnetoelectric control was realized in multiferroics. However, their magnetoelectric switching is often accompanied by significant hy…
The purpose of this report is to develop and support instruments for 24/7 global coverage to detect, locate, and characterize signals from nuclear detonations (shallow buried to deep space).
International audience
A gedanken density is not a real one but one imagined in the construction of density functional approximations. The uniform electron gas is the original gedanken density, but we will be concerned here with two others: (1) the groundstate density of one electron in the presence of a nonuniform periodic potential , in w…
Graphyne sheet exhibits promising potential for nanoscale desalination to achieve both high water permeability and salt rejection rate. Extensive molecular dynamics simulations on pore-size effects suggest that γ-graphyne-4, with 4 acetylene bonds between two adjacent phenyl rings, has the best performance with 100% s…
Predicting radiative lifetimes and photoluminescence (PL) emission energies from electron-hole recombination in nano structures is complicated by correlation. Quantum correlations—particularly the attraction between the recombining electron and hole—reduce the PL emission energy but also modify the wave functions, enh…
We report a superconductivity realized at the interface of a Bi2Te3/FeTe heterostructure fabricated via van der Waals epitaxy using the molecular beam epitaxy technique, which appears even when the thickness of Bi2Te3 is as thin as one quintuple layer. The two-dimensional nature of the observed superconductivity with…
I will give an overview of the current state of the physics and technology of graphene spintronics. I will explain the basic concepts of spin accumulation, spin transport, spin precession, spin manipulation and spin relaxation. It will be shown how various types of measurements (two, three and four terminal geometries…
L'étude menée tout au long de cette thèse a consisté d'abord à développer une formulation intégrale rigoureuse pour analyser une structure d'antenne diélectrique micro ruban uniforme à ondes de fuite à plan de masse variable à motif simple.
We demonstrate epsilon near zero (ENZ) metamaterials operating at visible wavelengths near 660 nm. The structure consists of a multilayer stack composite of alternating layers of Ag and TiO2, 16 nm and 54 nm thick, respectively. We found that a high refractive index material like TiO2 (n ∼ 2.3) is preferable to a lowe…
Abstract The hybridization of distinct quantum systems has opened new avenues to exploit the best properties of these individual systems. Superconducting circuits and electron spin ensembles are one such example. Strong coupling and the coherent transfer and storage of quantum information has been achieved with nitrog…
International audience
X-ray diffraction is an effective mean for analyzing material properties. This paper developed a new computational software for determining the properties of crystalline materials such as elastic constants, residual stresses, surface hardness, phase components, and etc. The results computed from the X-ray diffraction…
The dynamics of polymer chains in unentangled melts is commonly described by the Rouse model. However, various experimental and simulation studies show that certain dynamical phenomena in unentangled melts cannot be explained by the Rouse theory. One of the puzzling observations is the anomalous diffusion of the cente…