0000000000329141
AUTHOR
Markus A. Schmidt
Polymer based tuneable photonic crystals
We report on the fabrication and characterization of photonic crystal slab waveguide resonators which contain a nanostructured second-order nonlinear optical polymer. The combination of a photonic crystal resonator realized in a second-order nonlinear optical polymer allowed the detection of electro-optical modulation of light with a sub-1-V sensitivity. Furthermore we report on the synthesis of novel nonlinear optical polymers with large second-order hyperpolarizability and improved glass transition temperature. The polymer slab waveguide is micro patterned by means of electron-beam lithography and reactive ion etching. The photonic crystal slab-based resonator consisted of a square lattic…
Insights into Intrinsic Defects and the Incorporation of Na and K in the Cu2ZnSnSe4 Thin-Film Solar Cell Material from Hybrid-Functional Calculations
We have performed density functional theory calculations using the HSE06 hybrid functional to investigate the energetics, atomic, and electronic structure of intrinsic defects as well as Na and K impurities in the kesterite structure of the Cu2ZnSnSe4 (CZTSe) solar cell material. We found that both Na and K atoms prefer to be incorporated into this material as substitutional defects in the Cu sublattice. At this site highly stable (Na–Na), (K–K), and (Na–K) dumbbells can form. While Na interstitial defects are stable in CZTSe, the formation of K interstitial defects is unlikely. In general, the calculated formation energies for Na-related defects are always lower compared to their K-related…
Hybrid-Functional Calculations on the Incorporation of Na and K Impurities into the CuInSe 2 and CuIn 5 Se 8 Solar-Cell Materials
International audience; We have studied the energetics, atomic, and electronic structure of Na and K point defects, as well as the (Na-Na), (K-K), and (Na-K) dumbbells in CuInSe2 and CuIn5Se8 solar cell materials by hybrid functional calculations. We found that although Na and K behaves somewhat similar; there is a qualitative difference between the inclusion of Na and K impurities. Namely, Na will be mostly incorporated into CuInSe2 and CuIn5Se8 either as an interstitial defect coordinated by cations, or two Na impurities will form (Na-Na) dumbbells in the Cu sublattice. In contrast to Na, K impurities are less likely to form interstitial defects. Instead, it is more preferable to accommod…