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Aset of structural properties of liquid GeSe2 are calculated by using first-principles molecular dynamics and including, for the first time, van derWaals dispersion forces. None of the numerous atomic-scale simulations performed in the past on this prototy ...
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 ...
Band inversion, one of the key signatures of time-reversal invariant topological insulators (TIs), arises mostly due to the spin-orbit (SO) coupling. Here, based on ab initio density-functional calculations, we report a theoretical investigation of the SO- ...
We describe our observation of strongly oriented total electronic angular momentum J in O(P-3(2)), Ne(P-3(2)), and He(S-3(1)) atoms emerging from a bent magnetic multipole guide, as measured by resonant multiphoton ionisation. This was contrary to our expe ...
We directly measure by femtosecond time-resolved x-ray diffraction the E-g symmetry coherent phonon excited in bismuth by a strong optical pulse. The magnitude of the E-g mode observed is 0.2 pm peak-to-peak, compared against the 2.7-pm initial displacemen ...
There has been significant recent interest in differentiating multicomponent solid forms, such as salts and cocrystals, and, where appropriate, in determining the position of the proton in the X-H center dot center dot center dot A-Y X-center dot center do ...
The first-principle understanding of the processes in the Scrape-Off-Layer (SOL) of a tokamak is crucial for the developement of a thermonuclear re- actor. Since the plasma temperature in the SOL is rather low, the plasma is typically not fully ionized, an ...
The electron microscopy community makes a wide use of Energy Dispersive X-ray Spectrometry (EDS) for elemental mapping in STEM. This technique was however long reckoned slow, dozens of minutes if not an hour, to collect enough information for one map. Rece ...
Density-functional-theory based calculations of two single-walled carbon nanotubes of different chirality settle open issues on the sidewall chemisorption of atomic oxygen at low concentrations. Ether groups are the thermodynamically favored configurations ...
We present time-resolved photoemission experiments from a peculiar bismuth surface, Bi(114). The strong one-dimensional character of this surface is reflected in the Fermi surface, which consists of spin-polarized straight lines. Our results show that the ...
