Concept

Jellium

Publications associées (61)

de Haas-van Alphen effect and Fermi surface properties of single-crystal CrB2

We report the angular dependence of three distinct de Haasâvan Alphen (dHvA) frequencies of the torque magnetization in the itinerant antiferromagnet CrB2 at temperatures down to 0.3 K and magnetic fields up to 14 T. Comparison with the Fermi surface cal ...

2013

Evidence for a Peierls phase-transition in a three-dimensional multiple charge-density waves solid

Majed Chergui, Fabrizio Carbone, Thomas James Penfold, Mathieu Julien Gino Cottet

The effect of dimensionality on materials properties has become strikingly evident with the recent discovery of graphene. Charge ordering phenomena can be induced in one dimension by periodic distortions of a material's crystal structure, termed Peierls or ...

2012

Anisotropic spin gaps in BiAg2-Ag/Si(111)

Klaus Kern, Marco Grioni, Alberto Crepaldi, Emmanouil Frantzeskakis

We present a detailed analysis of the band structure of the root 3 x root 3 R 30 degrees BiAg2/Ag/Si(111) trilayer system by means of high resolution Angle Resolved Photoemission Spectroscopy (ARPES). BiAg2/Ag/Si(111) exhibits a complex spin-polarized elec ...

2012

Interferometric measurement of local spin fluctuations in a quantum gas

Jean-Philippe Brantut

Ultracold gases provide a controlled environment that is ideal for studying many intriguing phenomena associated with quantum correlated systems. Current efforts are directed towards the identification of magnetic properties, as well as the creation and de ...

Nature Publishing Group2012

Direct observation of a ferri-to-ferromagnetic transition in a fluoride-bridged 3d–4f molecular cluster

Harald Brune, Stefano Rusponi, Jan Gui-Hyon Dreiser

We report on the synthesis, crystal structure and magnetic characterisation of the trinuclear, fluoride-bridged, molecular nanomagnet [Dy(hfac)(3)(H2O)-CrF2(py)(4)-Dy(hfac)(3)(NO3)] (1) (hfacH = 1,1,1,5,5,5-hexafluoroacetylacetone, py = pyridine) and a clo ...

2012

Why are the Interaction Energies of Charge-Transfer Complexes Challenging for DFT?

Aurore Marie-France Delachat, Cyril Piemontesi

The description of ground state charge-transfer complexes is highly challenging. Illustrative examples include large overestimations of charge-transfer by local and semi-local density functional approximations as well as inaccurate binding energies. It is ...

2012

Three-Dimensional Electron Realm in VSe2 by Soft-X-Ray Photoelectron Spectroscopy: Origin of Charge-Density Waves

Thorsten Schmitt, Vladimir N. Strocov, Helmuth Berger, Xiaoqiang Wang

The resolution of angle-resolved photoelectron spectroscopy (ARPES) in three-dimensional (3D) momentum k is fundamentally limited by ill defined surface-perpendicular wave vector k(perpendicular to) associated with the finite photoelectron mean free path. ...

Amer Physical Soc2012

Structural evolution of amino acid crystals under stress from a non-empirical density functional

Riccardo Sabatini

Use of the non-local correlation functional vdW-DF (from 'van der Waals density functional'; Dion M et al 2004 Phys. Rev. Lett. 92 246401) has become a popular approach for including van der Waals interactions within density functional theory. In this work ...

Iop Publishing Ltd2012

Photoelectron properties of DNA and RNA bases from many-body perturbation theory

Nicola Marzari

The photoelectron properties of DNA and RNA bases are studied using many-body perturbation theory within the GW approximation, together with a recently developed Lanczos-chain approach. Calculated vertical ionization potentials, electron affinities, and to ...

2011

X-ray absorption investigation of the valence state and electronic structure of La 1-xCa xCoO 3−δ in comparison with La 1-xSr xCoO 3−δ and La 1-xSr xFeO 3−δ

Christian Ludwig

3d metal K-shell X-ray absorption spectra of perovskites with the composition La1-xCaxCoO3-delta (x=0, 0.2, 0.4, 0.5, 0.6, 0.8), La1-xSrxCoO3-delta (x=0, 0.1, 0.2, 0.3, 0.4, 0.5) and La1-xSrxFeO3-delta (x=0, 0.2, 0.4, 0.5, 0.6, 0.8) are compared on the bas ...

Elsevier2011

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