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most citedVan der Waals density functionals applied to solids

4.6k citations

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28 papers · 1 filter

cond-mat.str-el2011★ 23 cited

Generalised Longitudinal Susceptibility for Magnetic Monopoles in Spin Ice

Steven T. Bramwell

The generalised longitudinal susceptibility affords a sensitive measure of the spatial and temporal correlations of magnetic monopoles in spin ice. Starting with th…

cond-mat.str-el2011★ 38 cited

Quantum order-by-disorder near criticality and the secret of partial order in MnSi

Frank Krüger, Una Karahasanovic, Andrew G. Green

The vicinity of quantum phase transitions has proven fertile ground in the search for new quantum phases. We propose a physically motivated and unifying description of phase recons…

cond-mat.str-el2011★ 102 cited

Femtoscale magnetically induced lattice distortions in multiferroic TbMnO3

H. C. Walker, F. Fabrizi, L. Paolasini +5

Magneto-electric multiferroics exemplified by TbMnO3 possess both magnetic and ferroelectric long-range order. The magnetic order is mostly understood, whereas the nature of the fe…

cond-mat.str-el2011★ 96 cited

Strong electronic correlation in the Hydrogen chain: a variational Monte Carlo study

Lorenzo Stella, Claudio Attaccalite, Sandro Sorella +1

In this article, we report a fully ab initio variational Monte Carlo study of the linear, and periodic chain of Hydrogen atoms, a prototype system providing the simplest example of…

cond-mat.str-el2011★ 53 cited

Imaging Oxygen Defects and their Motion at a Manganite Surface

Benjamin Bryant, Christoph Renner, Yusuke Tokunaga +2

Manganites are technologically important materials, used widely as solid oxide fuel cell cathodes: they have also been shown to exhibit electroresistance. Oxygen bulk diffusion and…

cond-mat.quant-gas2011★ 54 cited

Repulsive polarons in two-dimensional Fermi gases

V. Ngampruetikorn, J. Levinsen, Meera M. Parish

We consider a single spin-down impurity atom interacting via an attractive, short-range potential with a spin-up Fermi sea in two dimensions (2D). Similarly to 3D, we show how the…

cond-mat.other2011★ 9 cited

Electrically detected spin echoes of donor nuclei in silicon

D. R. McCamey, C. Boehme, G. W. Morley +1

The ability to probe the spin properties of solid state systems electrically underlies a wide variety of emerging technology. Here, we extend electrical readout of the nuclear spin…

quant-ph2011★ 55 cited

Quantum control of hybrid nuclear-electronic qubits

Gavin W. Morley, Petra Lueders, M. Hamed Mohammady +6

Pulsed magnetic resonance is a wide-reaching technology allowing the quantum state of electronic and nuclear spins to be controlled on the timescale of nanoseconds and microseconds…

cond-mat.quant-gas2011★ 63 cited

Density instabilities in a two-dimensional dipolar Fermi gas

Meera M. Parish, Francesca M. Marchetti

We study the density instabilities of a two-dimensional gas of dipolar fermions with aligned dipole moments. We show that the Random Phase Approximation (RPA) for the density-densi…

cond-mat.soft2011★ 44 cited

Bistable collective behavior of polymers tethered in a nanopore

Dino Osmanovic, Joe Bailey, Anthony H. Harker +3

Polymer-coated pores play a crucial role in nucleo-cytoplasmic transport and in a number of biomimetic and nanotechnological applications. Here we present Monte Carlo and Density F…

cond-mat.supr-con2011★ 80 cited

Proximity Effects and Nonequilibrium Superconductivity in Transition-Edge Sensors

John E. Sadleir, Stephen J. Smith, Ian K. Robinson +5

We have recently shown that normal-metal/superconductor (N/S) bilayer TESs (superconducting Transition-Edge Sensors) exhibit weak-link behavior.1 Here we extend our understanding t…

cond-mat.supr-con2011★ 173 cited

Evolution and Control of Oxygen Order in a Cuprate Superconductor

Nicola Poccia, Michela Fratini, Alessandro Ricci +6

The disposition of defects in metal oxides is a key attribute exploited for applications from fuel cells and catalysts to superconducting devices and memristors. The most typical d…

cond-mat.str-el2011★ 29 cited

Higher Energy Composite Fermion Levels in the Fractional Quantum Hall Effect

Trevor D. Rhone, Dwipesh Majumder, Brian S. Dennis +9

Even though composite fermions in the fractional quantum Hall liquid are well established, it is not yet known up to what energies they remain intact. We probe the high-energy spec…

cond-mat.mtrl-sci2011★ 537 cited

O(N) methods in electronic structure calculations

D. R. Bowler, T. Miyazaki

Linear scaling methods, or O(N) methods, have computational and memory requirements which scale linearly with the number of atoms in the system, N, in contrast to standard approach…

cond-mat.mes-hall2011★ 128 cited

Melting artificial spin ice

Vassilios Kapaklis, Unnar B. Arnalds, Adam Harman-Clarke +7

Artificial spin ice arrays of micromagnetic islands are a means of engineering additional energy scales and frustration into magnetic materials. Despite much progress in elucidatin…

cond-mat.mtrl-sci2011★ 234 cited

Hydrogen bonds and van der Waals forces in ice at ambient and high pressures

Biswajit Santra, Jiří Klimeš, Dario Alfè +5

The first principles approaches, density functional theory (DFT) and quantum Monte Carlo, have been used to examine the balance between van der Waals (vdW) forces and hydrogen (H)…

cond-mat.str-el2011★ 108 cited

Specific heat and SR study on the noncentrosymmetric superconductor LaRhSi3

V. K. Anand, A. D. Hilier, D. T. adroja +4

We have investigated the superconducting properties of the noncentrosymmetric superconductor LaRhSi by performing magnetization, specific heat, electrical resistivity and muo…

cond-mat.str-el2011★ 36 cited

Strong coupling of Sm and Fe magnetism in SmFeAsO as revealed by magnetic x-ray scattering

S. Nandi, Y. Su, Y. Xiao +17

The magnetic structures adopted by the Fe and Sm sublattices in SmFeAsO have been investigated using element specific x-ray resonant and non-resonant magnetic scattering techniques…

cond-mat.other2011

Magnetic frustration in the context of pseudo-dipolar ionic disorder

S. T. Banks, S. T. Bramwell

We consider an alternative to the usual spin glass paradigm for disordered magnetism, consisting of the previously unstudied combination of frustrated magnetic interactions and pse…

quant-ph2011★ 91 cited

Consistent treatment of coherent and incoherent energy transfer dynamics using a variational master equation

Dara P. S. McCutcheon, Ahsan Nazir

We investigate the energy transfer dynamics in a donor-acceptor model by developing a time-local master equation technique based on a variational transformation of the underlying H…

cond-mat.mtrl-sci2011★ 66 cited

Constraints on the phase diagram of molybdenum from first-principles free-energy calculations

Claudio Cazorla, Dario Alf`e, Michael J. Gillan

We use first-principles techniques to re-examine the suggestion that transitions seen in high-P experiments on Mo are solid-solid transitions from the bcc structure to either the f…

cond-mat.mes-hall2011★ 153 cited

A general approach to quantum dynamics using a variational master equation: Application to phonon-damped Rabi rotations in quantum dots

Dara P. S. McCutcheon, Nikesh S. Dattani, Erik M. Gauger +2

We develop a versatile master equation approach to describe the non-equilibrium dynamics of a two-level system in contact with a bosonic environment, which allows for the explorati…

cond-mat.stat-mech2011★ 77 cited

The kinetics of homogeneous melting beyond the limit of superheating

D. Alfè, C. Cazorla, M. J. Gillan

Molecular dynamics simulation is used to study the time-scales involved in the homogeneous melting of a superheated crystal. The interaction model used is an embedded-atom model fo…

cond-mat.mtrl-sci2011★ 4.6k cited

Van der Waals density functionals applied to solids

Jiří Klimeš, David R. Bowler, Angelos Michaelides

The van der Waals density functional (vdW-DF) of Dion et al. [Phys. Rev. Lett. 92, 246401 (2004)] is a promising approach for including dispersion in approximate density functional…