排序方式: 共有42条查询结果,搜索用时 15 毫秒
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Steeneken PG Tjeng LH Sawatzky GA Tanaka A Tjernberg O Ghiringhelli G Brookes NB Nugroho AA Menovsky AA 《Physical review letters》2003,90(24):247005
We report on an x-ray absorption and resonant photoemission study on single crystals of the high-T(c) cuprates La2-xSrxCuO4 and Nd(2-x)Ce(x)CuO(4-delta). Using an intrinsic energy reference, we find that the chemical potential of La2-xSrxCuO4 lies near the top of the La2CuO4 valence band whereas in Nd(2-x)Ce(x)CuO(4-delta) it is situated near the bottom of the Nd2CuO4 conduction band. The data clearly establish that the introduction of Ce in Nd2CuO4 results in electrons being doped into the CuO2 planes. We infer that the states closest to the chemical potential have a Cu 3d(10) singlet origin in Nd(2-x)Ce(x)CuO(4-delta) and a 3d(9)L singlet origin in La2-xSrxCuO4. 相似文献
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Braicovich L Tagliaferri A van der Laan G Ghiringhelli G Brookes NB 《Physical review letters》2003,90(11):117401
We present an approach to x-ray resonant Raman scattering suitable for sum-rule analysis. In magnetic systems it gives ground state information as represented by an expansion in coupled multipoles of orbital and spin moments. The experiment is based on the angular dependence of the integrated peak intensities. In 3d transition elements one obtains information up to order 4 from the channel 2p(6)3d(n)-->2p(5)3d(n+1)-->2p(6)3s(1)3d(n+1). By combining these results with L(2,3) absorption dichroism, we show quantitatively the atomiclike properties of cobalt in CoFe2O4 up to high-order multipoles. 相似文献
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Mizokawa T Tjeng LH Sawatzky GA Ghiringhelli G Tjernberg O Brookes NB Fukazawa H Nakatsuji S Maeno Y 《Physical review letters》2001,87(7):077202
O 1s x-ray absorption study of the Mott insulator Ca(2)RuO(4) shows that the orbital population of the 4d t(2g) band dramatically changes with temperature. In addition, spin-resolved circularly polarized photoemission study of Ca(2)RuO(4) shows that a substantial orbital angular momentum is induced in the Ru 4d t(2g) band. Based on the experimental results and model Hartree-Fock calculations, we argue that the cooperation between the strong spin-orbit coupling in the Ru 4d t(2g) band and the small distortion of the RuO(6) octahedra causes the interesting changeover of the spin and orbital anisotropy as a function of temperature. 相似文献
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Kiron Kumar Ghosh Alexander Uttry Arup Mondal Francesca Ghiringhelli Philipp Wedi Manuel van Gemmeren 《Angewandte Chemie (International ed. in English)》2020,59(31):12848-12852
We report the ligand‐enabled C?H activation/olefination of free carboxylic acids in the γ‐position. Through an intramolecular Michael addition, δ‐lactones are obtained as products. Two distinct ligand classes are identified that enable the challenging palladium‐catalyzed activation of free carboxylic acids in the γ‐position. The developed protocol features a wide range of acid substrates and olefin reaction partners and is shown to be applicable on a preparatively useful scale. Insights into the underlying reaction mechanism obtained through kinetic studies are reported. 相似文献
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Ilakovac V Brookes NB Cezar JC Thakur P Bisogni V Dallera C Ghiringhelli G Braicovich L Bernu S Berger H Forró L Akrap A Hague CF 《J Phys Condens Matter》2012,24(4):045503
Polarization dependent vanadium L edge x-ray absorption spectra of BaVS(3) single crystals are measured in the four phases of the compound. The difference between signals with the polarizations E perpendicular to c and E is parallel to c (linear dichroism) changes with temperature. Besides increasing the intensity of one of the maxima, a new structure appears in the pre-edge region below the metal-insulator transition. More careful examination brings to light that the changes start already with pretransitional charge density wave fluctuations. Simple symmetry analysis suggests that the effect is related to rearrangements in the E(g) and A(1g) states, and is compatible with the formation of four inequivalent V-sites along the V-S chain. 相似文献
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Ghiringhelli LM Hess B van der Vegt NF Delle Site L 《Journal of the American Chemical Society》2008,130(40):13460-13464
Inorganic-(bio)organic interfaces are of central importance in many fields of current research. Theoretical and computational tools face the difficult problem of the different time and length scales that are involved and linked in a nontrivial way. In this work, a recently proposed hierarchical quantum-classical scale-bridging approach is further developed to study large flexible molecules. The approach is then applied to study the adsorption of oligopeptides on a hydrophilic Pt(111) surface under complete wetting conditions. We examine histidine sequences, which are well known for their binding affinity to metal surfaces. Based on a comparison with phenylalanine, which binds as strong as histidine under high vacuum conditions but, as we show, has no surface affinity under wet conditions, we illustrate the mediating effects of near-surface water molecules. These contribute significantly to the mechanism and strength of peptide binding. In addition to providing physical-chemical insights in the mechanism of surface binding, our computational approach provides future opportunities for surface-specific sequence design. 相似文献