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Unraveling materials Berry curvature and Chern numbers from real-time evolution of Bloch states
(Natlacad Sciences, 2019-03-05)
Materials can be classified by the topological character of their electronic structure and, in this perspective, global attributes immune to local deformations have been discussed in terms of Berry curvature and Chern ...
Orbital magneto-optical response of periodic insulators from first principles
(Springer, 2019-03-06)
Magneto-optical response, i.e. optical response in the presence of a magnetic field, is commonly used for characterization of materials and in optical communications. However, quantum mechanical description of electric and ...
Divalent EuRh2Si2 as a Reference for the Luttinger Theorem and Antiferromagnetism in Trivalent Heavy-Fermion YbRh2Si2
(Nature Publishing Group, 2019-02-15)
Application of the Luttinger theorem to the Kondo lattice YbRh2Si2 suggests that its large 4f derived Fermi surface (FS) in the paramagnetic (PM) regime should be similar in shape and volume to that of the divalent ...
Real-Time Propagation TDDFT and Density Analysis for Exciton Coupling Calculations in Large Systems
(American Chemical Society, 2019-06)
Photoactive systems are characterized by their capacity to absorb the energy of light and transform it. Usually, more than one chromophore is involved in the light absorption and excitation transport processes in complex ...
Route to form skyrmions in soft magnetic films
(American Institute of Physics, 2019-08)
Magnetic skyrmions which are topologically nontrivial magnetization configurations have attracted much attention recently due to their potential applications in information recording and signal processing. Conventionally, ...
Identifying substitutional oxygen as a prolific point defect in monolayer transition metal dichalcogenides
(Nature, 2019-07-29)
Chalcogen vacancies are generally considered to be the most common point defects in transition metal dichalcogenide (TMD) semiconductors because of their low formation energy in vacuum and their frequent observation in ...
Beyond the State of the Art: Novel Approaches for Thermal and Electrical Transport in Nanoscale Devices
(MDPI, 2019-08)
Almost any interaction between two physical entities can be described through the transfer of either charge, spin, momentum, or energy. Therefore, any theory able to describe these transport phenomena can shed light on a ...
Electron spill-out effects in plasmon excitations by fast electrons
(Elsevier, 2019-08-29)
A new non-retarded hydrodynamic approach to the interaction between a fast electron and a diffuse metal-vacuum interface is presented. The metal is characterized by the parameters of a dispersive bulk dielectric function ...
Reactivity of Bioinspired Magnesium-Organic Networks under CO2 and O-2 Exposure
(American Chemical Society, 2019-06-30)
Photosynthesis is the model system for energy conversion. It uses CO2 as a starting reactant to convert solar energy into chemical energy, i.e., organic molecules or biomass. The first and rate-determining step of this ...
How Confinement Affects the Nucleation, Crystallization, and Dielectric Relaxation of Poly(butylene succinate) and Poly(butylene adipate) Infiltrated within Nanoporous Alumina Templates
(ACS Publications, 2019-10-17)
This work describes the successful melt infiltration of poly(butylene succinate) (PBS) and poly(butylene adipate) (PBA) within 70 nm diameter anodic aluminum oxide (AAO) templates. The infiltrated samples were characterized ...