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
24 papers · 1 filter
Calculations on millions of atoms with DFT: Linear scaling shows its potential
D. R. Bowler, T. Miyazaki
An overview of the Conquest linear scaling density functional theory (DFT) code is given, focussing particularly on the scaling behaviour on modern high- performance computing (HPC…
Pressure dependence of phonon modes across the tetragonal to collapsed tetragonal phase transition in CaFe2As2
R. Mittal, R. Heid, A. Bosak +14
The pressure dependence of a large number of phonon modes in CaFe2As2 with energies covering the full range of the phonon spectrum has been studied using inelastic x-ray and neutro…
Giant anomalous Hall resistivity of the room temperature ferromagnet Fe3Sn2 - a frustrated metal with the kagome-bilayer structure
T. Kida, L. Fenner, A. S. Wills +2
We have investigated magnetic and transport properties of the {\it kagomé-bilayer} ferromagnet FeSn. A soft ferromagnetism and a large anomalous Hall effect are observe…
Neutron scattering study of the high energy graphitic phonons in superconducting CaC
M. P. M. Dean, A. C. Walters, C. A. Howard +7
We present the results of a neutron scattering study of the high energy phonons in the superconducting graphite intercalation compound CaC. The study was designed to address hi…
Nature of the magnetic order and origin of induced ferroelectricity in TbMnO
S. B. Wilkins, T. R. Forrest, T. A. W. Beale +9
The magnetic structures which endow TbMnO with its multiferroic properties have been reassessed on the basis of a comprehensive soft x-ray resonant scattering (XRS) study. The…
Analysis of strain and stacking faults in single nanowires using Bragg coherent diffraction imaging
V. Favre-Nicolin, F. Mastropietro, J. Eymery +10
Coherent diffraction imaging (CDI) on Bragg reflections is a promising technique for the study of three-dimensional (3D) composition and strain fields in nanostructures, which can…
Spinon localization in the heat transport of the spin-1/2 ladder compound (CHN)CuBr
A. V. Sologubenko, T. Lorenz, J. A. Mydosh +4
We present experiments on the magnetic field-dependent thermal transport in the spin-1/2 ladder system (CHN)CuBr. The thermal conductivity is only weakly…
Imaging the essential role of spin-fluctuations in high-Tc superconductivity
N. Jenkins, Y. Fasano, C. Berthod +7
We have used scanning tunneling spectroscopy to investigate short-length electronic correlations in three-layer Bi2Sr2Ca2Cu3O(10+d) (Bi-2223). We show that the superconducting gap…
Inelastic X-ray Scattering Study of superconducting SmFeAs(OF) Single Crystals: Evidence for Strong Momentum-Dependent Doping-Induced Renormalizations of Optical Phonons
M. Le Tacon, T. R. Forrest, Ch. Rüegg +10
We report inelastic x-ray scattering experiments on the lattice dynamics in SmFeAsO and superconducting SmFeAsOF single crystals. Particular attention was paid to…
Coupled cluster benchmarks of water monomers and dimers extracted from DFT liquid water: the importance of monomer deformations
Biswajit Santra, Angelos Michaelides, Matthias Scheffler
To understand the performance of popular density-functional theory (DFT) exchange-correlation (xc) functionals in simulations of liquid water, water monomers and dimers were extrac…
Zero-point entropy of the spinel spin glasses CuGa_2O_4 and CuAl_2O_4
L A Fenner, A S Wills, S T Bramwell +2
The zero-point entropy of a spin glass is a difficult property to experimentally determine and interpret. Spin glass theory provides various predictions, including unphysical ones,…
Inelastic neutron scattering studies of the quantum frustrated magnet clinoatacamite, -Cu2(OD)3Cl, a proposed valence bond solid (VBS)
A. S. Wills, T. G. Perring, S. Raymond +3
The frustrated magnet clinoatacamite, -Cu(OH)Cl, is attracting a lot of interest after suggestions that at low temperature it forms an exotic quantum state termed a Vale…
Magnetic Charge Transport
S. T. Bramwell, S. R. Giblin, S. Calder +3
It has recently been predicted that certain magnetic materials contain mobile magnetic charges or `monopoles'. Here we address the question of whether these magnetic charges and th…
Persistent currents and quantised vortices in a polariton superfluid
D. Sanvitto, F. M. Marchetti, M. H. Szymanska +10
Semiconductor microcavity polaritons in the optical parametric scattering regime have been recently demonstrated to display a new variety of dissipationless superfluid behaviour. W…
High Field Phenomena of Qubits
J. van Tol, G. W. Morley, S. Takahashi +3
Electron and nuclear spins are very promising candidates to serve as quantum bits (qubits) for proposed quantum computers, as the spin degrees of freedom are relatively isolated fr…
Non-adiabatic phonons within the doped graphene layers of XC compounds
Mark P. M. Dean, Christopher A. Howard, Siddharth S. Saxena +1
We report the first Raman scattering measurements of BaC, SrC, and YbC, which along with new data on CaC, permits a systematic study of the phonons and the electron…
Magnetic and electrical properties of dhcp NpPd3 and U(1-x)Np(x)Pd3
H. C. Walker, K. A. McEwen, P. Boulet +4
We have made an extensive study of the magnetic and electrical properties of double-hexagonal closepacked NpPd3 and a range of U(1-x)Np(x)Pd3 compounds with x=0.01, 0.02, 0.05, and…
Circularly polarised X-rays as a probe of non-collinear magnetic order in multiferroic TbMnO3
F. Fabrizi, H. C. Walker, L. Paolasini +4
Non-resonant X-ray magnetic scattering has been used to study the magnetic structure of multiferroic TbMnO3 in its ferroelectric phase. Circularly polarized X-rays were combined wi…
Melting properties of a simple tight-binding model of transition metals: I.The region of half-filled d-band
C. Cazorla, D. Alfè, M. J. Gillan
We present calculations of the free energy, and hence the melting properties, of a simple tight-binding model for transition metals in the region of d-band filling near the middle…
Could one make a diamond-based quantum computer?
A Marshall Stoneham, A H Harker, Gavin W Morley
We assess routes to a diamond-based quantum computer, where we specifically look towards scalable devices, with at least 10 linked quantum gates. Such a computer should satisfy the…
Experimental and theoretical study of oxygen adsorption structures on Ag(111)
Joachim Schnadt, Jan Knudsen, Xiao Liang Hu +7
The oxidized Ag(111) surface has been studied by a combination of experimental and theoretical methods, scanning tunneling microscopy (STM), x-ray photoelectron spectroscopy (XPS),…
Temperature of the inner-core boundary of the Earth: Melting of iron at high pressure from first-principles coexistence simulations
Dario Alfè
The Earth's core consists of a solid ball with a radius of 1221 Km, surrounded by a liquid shell which extends up to 3480 Km from the centre of the planet, roughly half way towards…
Field-induced soft-mode quantum phase transition in LaSrCuO
J. Chang, N. B. Christensen, Ch. Niedermayer +13
Inelastic neutron-scattering experiments on the high-temperature superconductor LaSrCuO reveal a magnetic excitation gap that decreases continuously u…
Charge Density Refinement of the Si (111) 7x7 Surface
J. Ciston, A. Subramanian, I. K. Robinson +1
We report an experimental refinement of the local charge density at the Si (111) 7x7 surface utilizing a combination of x-ray and high energy electron diffraction. By perturbing ab…