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111.
Bruneval F Vast N Reining L Izquierdo M Sirotti F Barrett N 《Physical review letters》2006,97(26):267601
State-of-the-art theoretical methods fail in describing the optical absorption spectrum, band gap, and optical onset of Cu(2)O. We have extended a recently proposed self-consistent quasiparticle approach, based on the GW approximation, to the calculation of optical spectra, including excitonic effects. The band structure compares favorably with our present angle-resolved photoemission measurements. The excitonic effects based on these realistic band structure and screening provide a reliable optical absorption spectrum, which allows for a revised interpretation of its main structures. 相似文献
112.
Weissker HC Serrano J Huotari S Bruneval F Sottile F Monaco G Krisch M Olevano V Reining L 《Physical review letters》2006,97(23):237602
We present an investigation of the dynamic structure factor and of the dielectric function epsilonM(Q,omega) of the prototypical semiconductor silicon for finite momentum transfer, combining inelastic x-ray scattering experiments and ab initio calculations. In contrast with optical spectra, for finite momentum transfer time-dependent density-functional theory in the adiabatic local-density approximation together with lifetime broadening describes the physics of valence excitations correctly. Major structures in the spectra, governed by short-range crystal and exchange-correlation local-field effects, are strongly influenced by a mixing of transitions of positive and negative energies, in striking difference to spectra for vanishing momentum transfer. This mixing gives rise to a pronounced Fano asymmetry. 相似文献
113.
We have investigated the vapor phase growth of Au on SrTiO3(001)-(2 x 1) substrates by UHV scanning tunneling microscopy. Submonolayer (ML) coverages below 300 degrees C wet the surface as disordered metastable 2D islands. Beyond 0.75 ML fcc nanocrystals with a (111) interface are nucleated and ripen by dewetting the surrounding layer. Some multiply twinned fivefold symmetric clusters are also created. Above 400 degrees C dewetting occurs for all coverages and the surface is only populated by nanocrystals and fivefold clusters. A planar ground state configuration for small Au clusters and a higher interface energy for crystals than for wetted 2D ML films explains these results. 相似文献
114.
Bi-isoquinoline can be used as a building block to prepare a new family of non-sterically hindering chelates, including a macrocyclic system; the endocyclic nature of the ligands has been confirmed by the X-ray structure of an octahedral tris-chelate iron(II) complex, which shows that the three chelates are easily accommodated in the coordination sphere of the metal in spite of their crescent shape. 相似文献
115.
Michel F Hamman S Thomas F Philouze C Gautier-Luneau I Pierre JL 《Chemical communications (Cambridge, England)》2006,(39):4122-4124
In copper(ii) complexes of tripodal ligands, the protonation state of the phenol moiety, and its position (axial vs. equatorial), are easily assessed by (19)F NMR. 相似文献
116.
A magnetic tweezers setup is used to control both the stretching force and the relative linking number DeltaLk of a palindromic DNA molecule. We show here, in absence of divalent ions, that twisting negatively the molecule while stretching it at approximately 1 pN induces the formation of a cruciform DNA structure. Furthermore, once the cruciform DNA structure is formed, the extrusion of several kilo-base pairs of palindromic DNA sequence is directly and reversibly controlled by varying DeltaLk. Indeed the branch point behaves as a nanomechanical gear that links rotation with translation, a feature related to the helicity of DNA. We obtain experimentally a very good linear relationship between the extension of the molecule and DeltaLk. We use then this experiment to obtain a precise measurement of the pitch of B-DNA in solution: 3.61 +/- 0.03 nm/turn. 相似文献
117.
Fabien Pazuki 《Comptes Rendus Mathematique》2010,348(9-10):483-486
We give in this Note some squares of Abelian surfaces that are counterexamples to a conjecture formulated by Zhang about the intersection of subvarieties and preperiodic points. 相似文献
118.
119.
Jaegler Hugo Pointurier Fabien Onda Yuichi Angulo Jaime F. Griffiths Nina M. Moureau Agnes Faure Anne-Laure Marie Olivier Hubert Amélie Evrard Olivier 《Journal of Radioanalytical and Nuclear Chemistry》2019,322(1):57-66
An aqueous biphasic system has been used for selective extraction of U(VI) ions from Th(IV), Sm(III) and Ce(III). Role of different biomolecules like morin, catechin, hesperidin and 4-hydroxycoumarin have been studied. Morin serves as the best reagent when citrate ions are used as a masking agent. Citrate forms stronger complexes with the other metal ions than morin thereby restricting their extractions. Contrarily, U(VI) forms a stronger complex with morin than citrate and is selectively extracted under the same conditions. It was also observed that morin can act as a spectrophotometric reagent for ratiometric detection and analysis of U(VI) ions.
相似文献120.