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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 2014 · cond-mat.mtrl-sciShow all

24 papers · 2 filters

cond-mat.mtrl-sci2014★ 75 cited

Biquadratic and ring exchange interactions in orthorhombic perovskite manganites

Natalya S. Fedorova, Claude Ederer, Nicola A. Spaldin +1

We use ab initio electronic structure calculations within the generalized gradient approximation (GGA+U) to density functional theory (DFT) to determine the microscopic exchange in…

cond-mat.mtrl-sci2014★ 19 cited

Collinear order in a frustrated three-dimensional spin- antiferromagnet LiCuWO

K. M. Ranjith, R. Nath, M. Skoulatos +4

Magnetic frustration in three dimensions (3D) manifests itself in the spin- insulator LiCuWO. Density-functional band-structure calculations reveal a peculiar…

cond-mat.mtrl-sci2014★ 7 cited

Micro-metric electronic patterning of a topological band structure using a photon beam

Emmanouil Frantzeskakis, Nick de Jong, Berend Zwartsenberg +12

In an ideal 3D topological insulator (TI), the bulk is insulating and the surface conducting due to the existence of metallic states that are localized on the surface; these are th…

cond-mat.mtrl-sci2014★ 34 cited

All-optical magnetization switching in ferrimagnetic alloys: deterministic vs thermally activated dynamics

L. Le Guyader, S. El Moussaoui, M. Buzzi +7

Using photo-emission electron microscopy with X-ray magnetic circular dichroism as a contrast mechanism, new insights into the all-optical magnetization switching (AOS) phenomenon…

cond-mat.mtrl-sci2014★ 3 cited

Defect propagation in one-, two-, and three-dimensional compounds doped by magnetic atoms

A. Furrer, A. Podlesnyak, K. W. Krämer +1

Inelastic neutron scattering experiments were performed to study manganese(II) dimer excitations in the diluted one-, two-, and three-dimensional compounds CsMn(x)Mg(1-x)Br(3), K(2…

cond-mat.mtrl-sci2014★ 71 cited

Surface aligned magnetic moments and hysteresis of an endohedral single-molecule magnet on a metal

Rasmus Westerström, Anne-Christine Uldry, Roland Stania +10

The interaction between the endohedral unit in the single-molecule magnet DyScN@C and a rhodium (111) substrate leads to alignment of the Dy 4 orbitals. The resulting…