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

4.5k citations

Showing 2009 · cond-mat.mtrl-sciShow all

14 papers · 2 filters

cond-mat.mtrl-sci2009★ 65 cited

Ni3TeO6 - a collinear antiferromagnet with ferromagnetic honeycomb planes

I. Živković, K. Prša, O. Zaharko +1

We report a comprehensive study of magnetic properties of Ni3TeO6. The system crystallizes in a noncentrosymmetric rhombohedral lattice, space group R3. There are three differently…

cond-mat.mtrl-sci2009★ 1 cited

Study of diffuse scattering under hydrostatic pressure in PbMg1/3Nb2/3O3

G -M Rotaru, B Padmanabhan, S N Gvasaliya +5

We report measurements of the evolution of the diffuse scattering in a single crystal PbMg1/3Nb2/3O3 as a function of hydrostatic pressure. Upon applying pressure the diffuse scatt…

cond-mat.mtrl-sci2009★ 107 cited

Dynamical response and confinement of the electrons at the LaAlO3/SrTiO3 interface

A. Dubroka, M. Roessle, K. W. Kim +10

With infrared ellipsometry and transport measurements we investigated the electrons at the interface between LaAlO3 and SrTiO3. We obtained a sheet carrier density of Ns~5-9x 10E13…

cond-mat.mtrl-sci2009★ 157 cited

Li diffusion in LiCoO probed by muon-spin spectroscopy

Jun Sugiyama, Kazuhiko Mukai, Yutaka Ikedo +3

The diffusion coefficient of Li ions () in the battery material LiCoO has been investigated by muon-spin relaxation (SR). Based on the experiments in z…

cond-mat.mtrl-sci2009★ 416 cited

Band structure engineering of epitaxial graphene on SiC by molecular doping

Camilla Coletti, Christian Riedl, Dong Su Lee +5

Epitaxial graphene on SiC(0001) suffers from strong intrinsic n-type doping. We demonstrate that the excess negative charge can be fully compensated by non-covalently functionalizi…

cond-mat.mtrl-sci2009★ 89 cited

Graphene on Ru(0001): A corrugated and chiral structure

D. Martoccia, M. Bjoerck, C. M. Schlepuetz +5

We present a structural analysis of the graphene/Ru(0001) system obtained by surface x-ray diffraction. The data were fit using Fourier-series expanded displacement fields from an…