Regensburg 2016 – scientific programme

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SYES: Symposium Frontiers of Electronic Structure Theory: Focus on Topology and Transport

SYES 8: Frontiers of Electronic Structure Theory: Focus on Topology and Transport

SYES 8.7: Poster

Wednesday, March 9, 2016, 18:15–20:30, Poster A

Nonconventional screening of the Coulomb interaction in low-dimensional semiconductors and insulators — Ersoy Sasioglu, •Christoph Friedrich, and Stefan Blügel — Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Jülich and JARA, 52425 Jülich, Germany

Screening effects play a fundamental role in determining the exciton binding energy, electron dynamics, and the effective electron-electron interaction in low-dimensional semiconductors and insulators. Experimental observation of the large exciton binding energies and nonhydrogenic Rydberg series in low-dimensional semiconductors indicate an unusual non-local screening of the Coulomb interaction. By means of first-principles calculations in conjunction with the random-phase approximation (RPA) within the FLAPW method we study the screening of the Coulomb interaction in low-dimensional semiconductors and insulators. For this purpose a novel tetrahedron method has been implemented. We show that the screening in these systems deviates substantially from the bulk behavior, i.e., the screened interaction W cannot be expressed by a simple static dielectric constant. We compare the numerical RPA results to analytical functions derived from image-charge models for the isolated slab and for a repeated slab model. We find a nonconventional screening in low-dimensions. This nonconventional screening explains the deviations from the usual hydrogenic Rydberg series of energy levels of the excitonic states in one- and two-dimensional semiconductors and opens up possibilities for fundamental studies of correlation effects in low-dimensional materials.