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190 papers · 1 filter
Cascade morphology transition in bcc metals
Wahyu Setyawan, Aaron P. Selby, Niklas Juslin +3
Energetic atom collisions in solids induce shockwaves with complex morphologies. In this paper, we establish the existence of a morphological transition in such cascades. The order…
Magnetic and structural transitions in LaNaFeAs single crystals
J. -Q. Yan, S. Nandi, B. Saparov +10
LaNaFeAs single crystals have been grown out of an NaAs flux in an alumina crucible and characterized by measuring magnetic susceptibility, electrical resis…
Dimensionality Control of d-orbital Occupation in Oxide Superlattices
Da Woon Jeong, Woo Seok Choi, Satoshi Okamoto +6
Manipulating the orbital state in a strongly correlated electron system is of fundamental and technological importance for exploring and developing novel electronic phases. Here, w…
van der Waals forces in density functional theory: The vdW-DF method
Kristian Berland, Valentino R. Cooper, Kyuho Lee +4
A density functional theory (DFT) that accounts for van der Waals (vdW) interactions in condensed matter, materials physics, chemistry, and biology is reviewed. The insights that l…
Itinerant magnetism in metallic CuFe2Ge2
K. V. Shanavas, David J. Singh
Theoretical calculations are performed to understand the electronic structure and magnetic properties of CuFeGe. The band structure reveal large electron density a…
Diffusive Dynamics of Water inside Hydrophobic Carbon Micropores Studied by Neutron Spectroscopy and Molecular Dynamics Simulation
S. O. Diallo, L. Vlcek, E. Mamontov +4
When water molecules are confined to nanoscale spacings, such as in the nanometer size pores of activated carbon fiber (ACF), their freezing point gets suppressed down to very low…