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Tableau périodique des éléments

Publications associées (409)

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This paper presents new contributions to the modeling and design of reflecting cells embedding discrete control elements such as microelectromechanical system (MEMS) or diodes. First, a rigorous assessment of the different possibilities to simulate and mea ...

Institute of Electrical and Electronics Engineers2010

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The main topic of this thesis is the fabrication and characterization of structures smaller than the wavelength of light, for operation in the visible or near infrared spectral range. In the first part of this thesis, the fabrication of periodic structures ...

EPFL2010

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Acta Crystallographica Section A: Foundations of Crystallography covers theoretical and fundamental aspects of the structure of matter. The journal is the prime forum for research in diffraction physics and the theory of crystallographic structure determin ...

International Union of Crystallography2010

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Infrared Conductivity of Elemental Bismuth under Pressure: Evidence for an Avoided Lifshitz-Type Semimetal-Semiconductor Transition

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The application of pressure to elemental bismuth reduces its conduction-valence band overlap, and results in a semimetal-semiconductor (SMSC) transition around 25 kbar. This transition is nominally of the topological "Lifshitz'' Fermi surface variety, but ...

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We use ab initio computations to investigate the effect of filler ions on the properties of CoSb3 skutterudites. We analyze global and local structural effects of filling, using the Ba-filled system as an example. We show that the deformation of Sb network ...

2010

Highly stable and soluble bis-aqua Gd, Nd, Yb complexes as potential bimodal MRI/NIR imaging agents

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A tripodal ligand based on the 8-hydroxyquinolinate binding unit yields a soluble and highly stable bis-hydrated Gd3+ complex in water (pGd = 19.2(3)) with relaxivity change in the pH range 4.5-7.4 and Nd3+, Yb3+ analogues with sizeable NIR emission upon e ...

2010

Systematic study of first-row transition-metal diatomic molecules: A self-consistent DFT plus U approach

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We present a systematic first-principles study of the equilibrium bond lengths, harmonic frequencies, dissociation energies, ground state symmetries, and spin state splittings of 22 diatomic molecules comprised of a first-row 3d transition-metal and a main ...

2010

Ab initio converse NMR approach for pseudopotentials

Nicola Marzari

We extend the recently developed converse NMR approach [Thonhauser et al., J. Chem. Phys. 131, 101101 (2009)] such that it can be used in conjunction with norm-conserving, nonlocal pseudopotentials. This extension permits the efficient ab initio calculatio ...

2010

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