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
Quantum simulation of low-temperature metallic liquid hydrogen
Ji Chen, Xin-Zheng Li, Qianfan Zhang +5
Experiments and computer simulations have shown that the melt-ing temperature of solid hydrogen drops with pressure above about 65 GPa, suggesting that a liquid state might exist a…
Crystal structure and epitaxy of Bi2Te3 films grown on Si
Jihwey Park, Yeong-Ah Soh, G. Aeppli +5
We report comprehensive x-ray diffraction studies of the crystal structure and epitaxy of thin films of the topological insulator Bi2Te3 grown on Si (1 1 1). The films are single c…
The nature of high-energy radiation damage in iron: Modeling results
Eva Zarkadoula, Martin T. Dove, Szymon L. Daraszewicz +5
Understanding and predicting a material's performance in response to high-energy radiation damage, as well as designing future materials to be used in intense radiation environment…
Transport properties for liquid silicon-oxygen-iron mixtures at Earth's core conditions
Monica Pozzo, Chris Davies, David Gubbins +1
We report on the thermal and electrical conductivities of two liquid silicon-oxygen-iron mixtures (FeSiO and FeSiO), represent…
Benzene Adsorbed on Metals: Concerted Effect of Covalency and van der Waals Bonding
Wei Liu, Javier Carrasco, Biswajit Santra +3
The adsorption of aromatic molecules on metal surfaces plays a key role in condensed matter physics and functional materials. Depending on the strength of the interaction between t…
Decoherence mechanisms of 209Bi donor electron spins in isotopically pure 28Si
Gary Wolfowicz, Stephanie Simmons, Alexei M. Tyryshkin +8
Bismuth (209Bi) is the deepest Group V donor in silicon and possesses the most extreme characteristics such as a 9/2 nuclear spin and a 1.5 GHz hyperfine coupling. These lead to se…
Assessment of density functional theory for iron(II) molecules across the spin-crossover transition
A. Droghetti, D. Alfè, S. Sanvito
Octahedral Fe molecules are particularly interesting as they often exhibit a spin-crossover transition. In spite of the many efforts aimed at assessing the performances of d…
Anisotropic magnetothermoelectric power of ferromagnetic thin films
M. S. Anwar, B. Lacoste, J. Aarts
We compare the behavior of the magnetothermoelectric power (MTEP)in metallic ferromagnetic thin films of Ni80Fe20 (Permalloy; Py), Co and CrO2 at temperatures in the range of 100 K…
The ground state of a spin-crossover molecule calculated by diffusion Monte Carlo
Andrea Droghetti, Dario Alfe', Stefano Sanvito
Spin crossover molecules have recently emerged as a family of compounds potentially useful for implementing molecular spintronics devices. The calculations of the electronic proper…
Assessing the accuracy of quantum Monte Carlo and density functional theory for energetics of small water clusters
M. J. Gillan, F. R. Manby, M. D. Towler +1
We present a detailed study of the energetics of water clusters (HO) with , comparing diffusion Monte Carlo (DMC) and approximate density functional theory (DFT) w…
Selective Response of Mesoporous Silicon to Adsorbants with Nitro Groups
John A. McLeod, Ernst Z. Kurmaev, Peter V. Sushko +3
We demonstrate that the electronic structure of mesoporous silicon is affected by adsorption of nitro-based explosive molecules in a compound-selective manner. This selective respo…
An ab initio study of intrinsic defects in zirconolite
Jack Mulroue, Andrew J. Morris, Dorothy M. Duffy
Zirconolite, CaZrTi2O7, is a proposed ceramic for the use in disposal of highly active nuclear waste. Density functional theory (DFT) has been used, in conjunction with a random se…