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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 2013 · cond-mat.mtrl-sciShow all

25 papers · 2 filters

cond-mat.mtrl-sci2013★ 18 cited

Photo-induced persistent inversion of germanium in a 200-nm-deep surface region

T. Prokscha, K. H. Chow, E. Stilp +6

The controlled manipulation of the charge carrier concentration in nanometer thin layers is the basis of current semiconductor technology and of fundamental importance for device a…

cond-mat.mtrl-sci2013★ 22 cited

High magnetic field evolution of ferroelectricity in CuCrO2

Eundeok Mun, M. Frontzek, A. Podlesnyak +4

CuCrO2 offers insights into the different types of spiral magnetic orderings that can form spontaneously due to frustration in triangular-lattice antiferromagnets. We explore the m…

cond-mat.mtrl-sci2013★ 23 cited

Chemistry and structure of homoepitaxial SrTiO films and their influence on oxide-heterostructure interfaces

M. L. Reinle-Schmitt, C. Cancellieri, A. Cavallaro +4

The properties of single-crystal SrTiO substrates and homoepitaxial SrTiO films grown by pulsed laser deposition have been compared, in order to understand the loss of…

cond-mat.mtrl-sci2013★ 49 cited

Local structural excitations in model glasses

S. Swayamjyoti, P. M. Derlet, J. F. Löffler

Structural excitations of model Lennard-Jones glass systems are investigated using the Activation-Relaxation-Technique (ART), which explores the potential energy landscape of a loc…

cond-mat.mtrl-sci2013★ 20 cited

Linking high and low temperature plasticity in bulk metallic glasses II: use of a log-normal barrier energy distribution and a mean field description of high temperature plasticity

P. M. Derlet, R. Maass

A thermal activation model to describe the plasticity of bulk metallic glasses (Derlet and Maaß, Phil. Mag. 2013, DOI: 10.1080/14786435.2013.826396) which uses a distribution of ba…

cond-mat.mtrl-sci2013★ 75 cited

Morphotropic Phase Boundaries in Ferromagnets: Tb_{1-x}Dy_xFe_2 Alloys

Richard Bergstrom, Manfred Wuttig, James Cullen +5

The structure and properties of the ferromagnet Tb_{1-x}Dy_xFe_2 (Terfenol-D) are explored through the morphotropic phase boundary (MPB) separating ferroic phases of differing symm…