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20022026
most citedVan der Waals density functionals applied to solids

4.6k citations

Showing 2007Show all

24 papers · 1 filter

cond-mat.supr-con2007★ 140 cited

Tuning competing orders in La2-xSrxCuO4 cuprate superconductors by the application of an external magnetic field

J. Chang, Ch. Niedermayer, R. Gilardi +13

We report the results of a combined muon spin rotation and neutron scattering study on La2-xSrxCuO4 in the vicinity of the so-called 1/8-anomaly. Application of a magnetic field dr…

cond-mat.str-el2007★ 708 cited

Bose-Einstein Condensation in Magnetic Insulators

T. Giamarchi, Ch. Rüegg, O. Tchernyshyov

The elementary excitations in antiferromagnets are magnons, quasiparticles with integer spin and Bose statistics. In an experiment their density is controlled efficiently by an app…

cond-mat.mtrl-sci2007★ 41 cited

Structure-dependent exchange in the organic magnets Cu(II)Pc and Mn(II)Pc

Wei Wu, A. Kerridge, A. H. Harker +1

We study exchange couplings in the organic magnets copper(II) phthalocyanine (Cu(II)Pc) and manganese(II) phthalocyanine (Mn(II)Pc) by a combination of Green's function perturbatio…

quant-ph2007★ 1 cited

Local entanglement of multidimensional continuous-variable systems

H. -C. Lin, A. J. Fisher

We study the `local entanglement' remaining after filtering operations corresponding to imperfect measurements performed by one or both parties, such that the parties can only dete…

cond-mat.other2007★ 42 cited

Zero-temperature equation of state of solid 4He at low and high pressures

C. Cazorla, J. Boronat

We study the zero-temperature equation of state (EOS) of solid 4He in the hexagonal closed packet (hcp) phase over the 0-57 GPa pressure range by means of the Diffusion Monte Carlo…

cond-mat.str-el2007★ 32 cited

An x-ray resonant diffraction study of multiferroic DyMn2O5

R. A. Ewings, A. T. Boothroyd, D. F. McMorrow +3

X-ray resonant scattering has been used to measure the magnetic order of the Dy ions below 40K in multiferroic DyMnO. The magnetic order has a complex behaviour. There…

cond-mat.str-el2007★ 54 cited

X-ray Resonant Scattering Study of the Order Parameters in Multiferroic TbMnO

D. Mannix, D. F. McMorrow, R. A. Ewings +7

We report on an extensive investigation of the multiferroic compound TbMnO. Non-resonant x-ray magnetic scattering (NRXMS) revealed a dominant -type domain. The temperature…

cond-mat.str-el2007★ 60 cited

Diverging thermal expansion of the spin-ladder system (CHN)CuBr

T. Lorenz, O. Heyer, M. Garst +4

We present high-resolution measurements of the -axis thermal expansion and magnetostriction of piperidinium copper bromide \hp. The experimental data at low temperatures i…

cond-mat.str-el2007★ 17 cited

Influence of static Jahn-Teller distortion on the magnetic excitation spectrum of PrO2: A synchrotron x-ray and neutron inelastic scattering study

C. H. Webster, L. M. Helme, A. T. Boothroyd +6

A synchrotron x-ray diffraction study of the crystallographic structure of PrO2 in the Jahn-Teller distorted phase is reported. The distortion of the oxygen sublattice, which was p…

cond-mat.mtrl-sci2007★ 21 cited

Robust non-adiabatic molecular dynamics for metals and insulators

L. Stella, M. Meister, A. J. Fisher +1

We present a new formulation of the correlated electron-ion dynamics (CEID) scheme, which systematically improves Ehrenfest dynamics by including quantum fluctuations around the me…

cond-mat.str-el2007★ 131 cited

Quantum dynamics and entanglement of spins on a square lattice

N. B. Christensen, H. M. Ronnow, D. F. McMorrow +6

Bulk magnetism in solids is fundamentally quantum mechanical in nature. Yet in many situations, including our everyday encounters with magnetic materials, quantum effects are maske…

cond-mat.mtrl-sci2007★ 8 cited

Exchange between deep donors in semiconductors: a quantum defect approach

W. Wu, A. J. Fisher

Exchange interactions among defects in semiconductors are commonly treated within effective-mass theory using a scaled hydrogenic wave-function. However such a wave-function is onl…

cond-mat.other2007★ 116 cited

Pinch Points and Kasteleyn Transitions: How Spin Ice Changes its Entropy

T. Fennell, S. T. Bramwell, D. F. McMorrow +1

Complex disordered states - from liquids and glasses to exotic quantum matter - are ubiquitous in nature. Their key properties include finite entropy, power-law correlations and em…

cond-mat.str-el2007★ 30 cited

Pressure-Tuned Spin and Charge Ordering in an Itinerant Antiferromagnet

Yejun Feng, R. Jaramillo, G. Srajer +9

Elemental chromium orders antiferromagnetically near room temperature, but the ordering temperature can be driven to zero by applying large pressures. We combine diamond anvil cell…

cond-mat.other2007★ 13 cited

Quantum Projection in an Ising Spin Liquid

D. M. Silevitch, C. M. S. Gannarelli, A. J. Fisher +2

A transverse magnetic field is used to scan the diagonal and off-diagonal susceptibility of the uniaxial quantum magnet, . Clusters o…

cond-mat.mtrl-sci2007★ 232 cited

On how good DFT exchange-correlation functionals are for H bonds in small water clusters: Benchmarks approaching the complete basis set limit

Biswajit Santra, Angelos Michaelides, Matthias Scheffler

The ability of several density-functional theory (DFT) exchange-correlation functionals to describe hydrogen bonds in small water clusters (dimer to pentamer) in their global minim…

cond-mat.stat-mech2007★ 127 cited

Dy2Ti2O7 Spin Ice: a Test Case for Emergent Clusters in a Frustrated Magnet

Taras Yavors'kii, Tom Fennell, Michel J. P. Gingras +1

Dy2Ti2O7 is a geometrically frustrated magnetic material with a strongly correlated spin ice regime that extends from 1 K down to as low as 60 mK. The diffuse elastic neutron scatt…

cond-mat.supr-con2007★ 91 cited

The Persistence of High-Frequency Spin Fluctuations in Overdoped LaSrCuO (=0.22)

O. J. Lipscombe, S. M. Hayden, B. Vignolle +2

We report a detailed inelastic neutron scattering study of the collective magnetic excitations of overdoped superconducting La1.78Sr0.22CuO4 for the energy range 0-160 meV. Our mea…

cond-mat.mtrl-sci2007★ 12 cited

Melting curve and Hugoniot of molybdenum up to 400 GPa by ab initio simulations

C. Cazorla, M. J. Gillan, S. Taioli +1

We report ab initio calculations of the melting curve and Hugoniot of molybdenum for the pressure range 0-400 GPa, using density functional theory (DFT) in the projector augmented…

cond-mat.mtrl-sci2007★ 99 cited

Ab initio melting curve of molybdenum by the phase coexistence method

C. Cazorla, M. J. Gillan, S. Taioli +1

We report ab initio calculations of the melting curve of molybdenum for the pressure range 0-400 GPa. The calculations employ density functional theory (DFT) with the Perdew-Burke-…

cond-mat.stat-mech2007★ 24 cited

Ab initio statistical mechanics of surface adsorption and desorption: I. HO on MgO (001) at low coverage

D. Alfe`, M. J. Gillan

We present a general computational scheme based on molecular dynamics (m.d.) simulation for calculating the chemical potential of adsorbed molecules in thermal equilibrium on the s…

cond-mat.str-el2007★ 179 cited

Direct measurement of antiferromagnetic domain fluctuations

O. G. Shpyrko, E. D. Isaacs, J. M. Logan +9

Measurements of magnetic noise emanating from ferromagnets due to domain motion were first carried out nearly 100 years ago and have underpinned much science and technology. Antife…

cond-mat.supr-con2007★ 34 cited

Magnetic-field-induced spin excitations and renormalized spin gap of the underdoped superconductor LaSrCuO

J. Chang, A. P. Schnyder, R. Gilardi +15

High-resolution neutron inelastic scattering experiments in applied magnetic fields have been performed on LaSrCuO (LSCO). In zero field, the temperature…

cond-mat.supr-con2007★ 202 cited

Two energy scales in the spin excitations of the high-T_c superconductor LaSrCuO

B. Vignolle, S. M. Hayden, D. F. McMorrow +4

The excitations responsible for producing high-temperature superconductivity in the cuprates have not been identified. Two promising candidates are collective spin excitations and…