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Publications associées (142)

Nonpareil Yb Behavior in YbMn6Ge6-xSnx

We investigate the temperature dependence of the Yb valence in YbMn6Ge1.8Sn4.2 and YbMn6Ge1.6Sn4.4 using resonant inelastic x-ray scattering experiments. Yb is found to be in an intermediate valent state in the whole investigated temperature range (10-450 ...

American Physical Society2013

Interband spin-orbit coupling between anti-parallel spin states in Pb quantum well states

Jan Hugo Dil, Stefan Peter Muff

Using spin and angle-resolved photoemission spectroscopy we investigate a momentum region in Pb quantum well states on Si(111) where hybridization between Rashba-split bands alters the band structure significantly. Starting from the Rashba regime where the ...

2013

Assessing the performance of computational methods for the prediction of the ground state structure of a cyclic decapeptide

Ursula Röthlisberger, Thomas Rizzo, Ivano Tavernelli, Natalia Nagornova, Matteo Guglielmi

We benchmark the performance of various computational approaches, ranging from the classical nonpolarizable force fields AMBER FF96 and FF99SB, the polarizable force fields AMBER FF02polEP and AMOEBAbio09 to the semiempirical DFT method SCC-DFTB. The test ...

Wiley-Blackwell2013

Experimentally Engineering the Edge Termination of Graphene Nanoribbons

Oleg Yazyev, Xiaowei Zhang

The edges of graphene nanoribbons (GNRs) have attracted much interest due to their potentially strong influence on GNR electronic and magnetic properties. Here we report the ability to engineer the microscopic edge termination of high-quality GNRs via hydr ...

Amer Chemical Soc2013

Tuning of the Rashba effect in Pb quantum well states via a variable Schottky barrier

Jan Hugo Dil

Spin-orbit interaction (SOI) in low-dimensional systems results in the fascinating property of spin-momentum locking. In a Rashba system the inversion symmetry normal to the plane of a two-dimensional (2D) electron gas is broken, generating a Fermi surface ...

2013

Alternative method for the quantitative determination of Rashba- and Dresselhaus spin–orbit interaction using the magnetization

Dirk Grundler

The quantum oscillatory magnetization M of a two-dimensional electron system in a magnetic field B is found to provide quantitative information on both the Rashba- and Dresselhaus spin-orbit interaction (SOI). This is shown by first numerically solving the ...

Institute of Physics (IoP) and Deutsche Physikalische Gesellschaft2013

A wavelet analysis for the X-ray absorption spectra of molecules

Majed Chergui, Ursula Röthlisberger, Ivano Tavernelli, Thomas James Penfold, Amal El Nahhas, Marco Eli Reinhard

We present a Wavelet transform analysis for the X-ray absorption spectra of molecules. In contrast to the traditionally used Fourier transform approach, this analysis yields a 2D correlation plot in both R- and k-space. As a consequence, it is possible to ...

American Institute of Physics2013

Finite-Size Supercell Correction for Charged Defects at Surfaces and Interfaces

Alfredo Pasquarello, Hannu-Pekka Komsa

A finite-size supercell correction scheme is introduced for the formation energy of charged defects at surfaces and interfaces. The scheme combines classical electrostatics with the dielectric profile and the electrostatic potential extracted from the elec ...

American Physical Society2013

Electronic structure of KTi(SO4)(2)center dot H2O: An S=1/2 frustrated chain antiferromagnet

Henrik Moodysson Rønnow, Julian Piatek, Goran Nilsen

The compound KTi(SO4)(2)center dot H2O was recently reported as a quasi-one-dimensional spin-1/2 compound with competing antiferromagnetic nearest-neighbor exchange J(1) and next-nearest-neighbor exchange J(2) along the chain with a frustration ratio alpha ...

American Physical Society2013

Leptogenesis from first principles in the resonant regime

The lepton asymmetry generated by the out-of-equilibrium decays of heavy Majorana neutrinos with a quasi-degenerate mass spectrum is resonantly enhanced. In this work, we study this scenario within a first-principle approach. The quantum field theoretical ...

Academic Press Inc Elsevier Science2013

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