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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 2010 · cond-mat.mtrl-sciShow all

11 papers · 2 filters

cond-mat.mtrl-sci2010★ 76 cited

Localized vs. delocalized character of charge carriers in LaAlO3/ SrTiO3 superlattices

Kejin Zhou, Milan Radovic, Justine Schlappa +5

Understanding the nature of electrical conductivity, superconductivity and magnetism between layers of oxides is of immense importance for the design of electronic devices employin…

cond-mat.mtrl-sci2010★ 145 cited

Phase stability and structural temperature dependence in sodium niobate: A high resolution powder neutron diffraction study

S. K. Mishra, R. Mittal, V. Yu. Pomjakushin +1

We report investigation of structural phase transitions in technologically important material sodium niobate as a function of temperature on heating over 300-1075 K. Our high resol…

cond-mat.mtrl-sci2010★ 17 cited

Tuning the spin texture in binary and ternary surface alloys on Ag(111)

Isabella Gierz, Fabian Meier, J. Hugo Dil +2

Recently, a giant spin splitting has been observed in surface alloys on noble metal (111) surfaces as a result of a strong structural modification at the surface as well as the lar…

cond-mat.mtrl-sci2010★ 19 cited

Controlling the effective mass of quantum well states in Pb/Si(111) by interface engineering

Bartosz Slomski, Fabian Meier, Juerg Osterwalder +1

The in-plane effective mass of quantum well states in thin Pb films on a Bi reconstructed Si(111) surface is studied by angle-resolved photoemission spectroscopy. It is found that…

cond-mat.mtrl-sci2010★ 5 cited

Impact of gamma' particle coarsening on the critical resolved shear stress of nickel-base superalloys with low aluminium and/or titanium content

Péter Dusán Ispánovity, Botond Bakó, Daniel Weygand +2

In Ni-base superalloys with low Al and/or Ti content the precipitation and subsequent coarsening of gamma' particles at intermediate temperatures contribute to the degradation of t…

cond-mat.mtrl-sci2010★ 144 cited

Evolution of the interfacial structure of LaAlO3 on SrTiO3

S. A. Pauli, S. J. Leake, B. Delley +7

The evolution of the atomic structure of LaAlO3 grown on SrTiO3 was investigated using surface x-ray diffraction in conjunction with model-independent, phase-retrieval algorithms b…