4.6k citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- University College LondonGB816 papers
- Thomas Young CentreGB105 papers
- University of CambridgeGB94 papers
- University of OxfordGB89 papers
- Rutherford Appleton LaboratoryGB87 papers
- Paul Scherrer InstituteCH81 papers
- Centre National de la Recherche ScientifiqueFR78 papers
- Imperial College LondonGB59 papers
- École Polytechnique Fédérale de LausanneCH57 papers
- Brookhaven National LaboratoryUS52 papers
- University of GenevaCH52 papers
- ETH ZurichCH48 papers
12 papers · 2 filters
Electronic effects in high-energy radiation damage in tungsten
Eva Zarkadoula, Dorothy M. Duffy, Kai Nordlund +4
Although the effects of the electronic excitations during high-energy radiation damage processes are not currently understood, it is shown that their role in the interaction of rad…
Influence of oxygen pressure and aging on LaAlO3 films grown by pulsed laser deposition on SrTiO3 substrates
Jihwey Park, Yeong-Ah Soh, Gabriel Aeppli +3
The crystal structures of LaAlO3 films grown by pulsed laser deposition on SrTiO3 substrates at oxygen pressure of 10-3 mbar or 10-5 mbar, where kinetics of ablated species hardly…
Efficient Calculations with Multisite Local Orbitals in the large-scale DFT Code CONQUEST
Ayako Nataka, David R. Bowler, Tsuyoshi Miyazaki
Multisite local orbitals, which are formed from linear combinations of pseudo-atomic orbitals from a target atom and its neighbor atoms, have been introduced in the large-scale den…
Host isotope mass effects on the hyperfine interaction of group-V donors in silicon
T. Sekiguchi, A. M. Tyryshkin, S. Tojo +12
The effects of host isotope mass on the hyperfine interaction of group-V donors in silicon are revealed by pulsed electron nuclear double resonance (ENDOR) spectroscopy of isotopic…
Manipulating the orientation of an organic adsorbate on silicon: a NEXAFS study of acetophenone on Si(001)
Kane M. O'Donnell, Oliver Warschkow, Asif Suleman +3
We investigate the chemical and structural configuration of acetophenone on Si(001) using synchrotron radiation core-level spectroscopy techniques and density functional theory cal…
Insight into the description of van der Waals forces for benzene adsorption on transition metal (111) surfaces
Javier Carrasco, Wei Liu, Angelos Michaelides +1
Exploring the role of van der Waals (vdW) forces on the adsorption of molecules on extended metal surfaces has become possible in recent years thanks to exciting developments in de…
Doping nature of native defects in 1T-TiSe2
B. Hildebrand, C. Didiot, A. M. Novello +7
The transition metal dichalcogenide 1T-TiSe2 is a quasi two-dimensional layered material with a charge density wave (CDW) transition temperature of TCDW 200 K. Self-doping effects…
Current-Mode Deep Level Transient Spectroscopy of a Semiconductor Nanowire Field-Effect Transistor
Ivan Isakov, Marion J L Sourribes, Paul A Warburton
One of the main limiting factors in the carrier mobility in semiconductor nanowires is the presence of deep trap levels. While deep-level transient spectroscopy (DLTS) has proved t…
Nature of proton transport in a water-filled carbon nanotube and in liquid water
Ji Chen, Xin-Zheng Li, Qianfan Zhang +2
Proton transport (PT) in bulk liquid water and within a thin water-filled carbon nanotube has been examined with ab initio pathintegral molecular dynamics (PIMD). Barrierless proto…
Solvent Induced Proton Hopping at a Water-Oxide Interface
Gabriele Tocci, Angelos Michaelides
Despite widespread interest, a detailed understanding of the dynamics of proton transfer at interfaces is lacking. Here we use ab initio molecular dynamics to unravel the connectio…
Mobility Enhancement by Sb-mediated Minimisation of Stacking Fault Density in InAs Nanowires Grown on Silicon
Marion J. L. Sourribes, Ivan Isakov, Marina Panfilova +2
We report the growth of InAsSb nanowires () grown by catalyst-free molecular beam epitaxy on silicon (111) substrates. We observed a sharp decrease…
Benchmarking the performance of Density Functional Theory and Point Charge Force Fields in their Description of sI Methane Hydrate against Diffusion Monte Carlo
Stephen J. Cox, Michael D. Towler, Dario Alfè +1
High quality reference data from diffusion Monte Carlo calculations are presented for bulk sI methane hydrate, a complex crystal exhibiting both hydrogen-bond and dispersion domina…