Showing 2016 · cond-mat.mtrl-sciShow all

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cond-mat.mtrl-sci2016★ 26 cited

Optical properties of azobenzene-functionalized self-assembled monolayers: Intermolecular coupling and many-body interactions

Caterina Cocchi, Thomas Moldt, Cornelius Gahl +2

In a joint theoretical and experimental work the optical properties of azobenzene-functionalized self-assembled monolayers (SAMs) are studied at different molecular packing densiti…

cond-mat.mtrl-sci2016★ 42 cited

Room temperature manipulation of long lifetime spins in metallic-like carbon nanospheres

Bálint Náfrádi, Mohammad Choucair, Klaus-Peter Dinse +1

The time-window for processing electron spin information (spintronics) in solid-state quantum electronic devices is determined by the spin-lattice (T1) and spin-spin (T2) relaxatio…

cond-mat.mtrl-sci2016★ 14 cited

Gap control in phosphorene/BN structures from first principles calculations

Lukas Eugen Marsoner Steinkasserer, Simon Suhr, Beate Paulus

Using both DFT as well as calculations, we investigate static and dynamic effects on the phosphorene band gap upon deposition and encapsulation on/in BN multilayers. We de…

cond-mat.mtrl-sci2016

Strong 1D localization and highly anisotropic electron-hole masses in heavy-halogen functionalized graphenes

Lukas Eugen Marsoner Steinkasserer, Alessandra Zarantonello, Beate Paulus

While halogenation of graphene presents a fascinating avenue to the construction of a chemically and physically diverse class of systems, their application in photovoltaics has bee…

cond-mat.mtrl-sci2016★ 88 cited

Function-Space Based Solution Scheme for the Size-Modified Poisson-Boltzmann Equation in Full-Potential DFT

Stefan Ringe, Harald Oberhofer, Christoph Hille +2

The size-modified Poisson-Boltzmann (MPB) equation is an efficient implicit solvation model which also captures electrolytic solvent effects. It combines an account of the dielectr…

cond-mat.mtrl-sci2016★ 173 cited

Field-Selective Anomaly and Chiral Mode Reversal in Type-II Weyl Materials

M. Udagawa, E. J. Bergholtz

Three-dimensional condensed matter incarnations of Weyl fermions generically have a tilted dispersion---in sharp contrast with their elusive high-energy relatives where a tilt is f…