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19922026
most citedCP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations

4.5k citations

Showing 2005 · cond-mat.mtrl-sciShow all

5 papers · 2 filters

cond-mat.mtrl-sci2005★ 29 cited

Incommensurate magnetic ordering in Cu2Te2O5X2 (X=Cl, Br) studied by single crystal neutron diffraction

O. Zaharko, H. Ronnow, J. Mesot +8

Polarized and unpolarized neutron diffraction studies have been carried out on single crystals of the coupled spin tetrahedra systems Cu2Te2O5X2 (X=Cl, Br). A model of the magnetic…

cond-mat.mtrl-sci2005★ 52 cited

Quasi-Elastic Scattering, Random Fields and phonon-coupling effects in PbMg1/3Nb2/3O3

S N Gvasaliya, B Roessli, R A Cowley +2

The low-energy part of the vibration spectrum in PbMgNbO (PMN) relaxor ferroelectric has been studied by neutron scattering above and below the Burns temperatur…

cond-mat.mtrl-sci2005★ 4 cited

Disentangling instrumental broadening

A. Cervellino, C. Giannini, A. Guagliardi +1

A new procedure aiming at disentangling the instrumental profile broadening and the relevant X-ray powder diffraction (XRPD) profile shape is presented. The technique consists of t…

cond-mat.mtrl-sci2005★ 27 cited

Nanoparticle size distribution estimation by full-pattern powder diffraction analysis

A. Cervellino, C. Giannini, A. Guagliardi +1

The increasing scientific and technological interest in nanoparticles has raised the need for fast, efficient and precise characterization techniques. Powder diffraction is a very…

cond-mat.mtrl-sci2005★ 1 cited

Muon Spin Relaxation Measurements on Zirconia Samples

C. Degueldre, A. Amato, G. Bart

Although of primary importance in the mechanistic understanding of Zircaloy hydriding, practically nothing is known on the transport properties of hydrogen in zirconia. In this fra…