Berlin 2015 – wissenschaftliches Programm

Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe

HL: Fachverband Halbleiterphysik

HL 20: Poster IA (Ultrafast phenomena; Optical properties; Transport; Theory)

HL 20.22: Poster

Montag, 16. März 2015, 15:00–20:00, Poster B

Ab-Initio Studies of X-Ray Absorption in Kesterites — •Archana Manoharan, Lorenzo Pardini, Karsten Hannewald, and Claudia Draxl — Humboldt-Universität zu Berlin, Institut für Physik und IRIS Adlershof, Zum Großen Windkanal 6, 12489 Berlin, Germany

The kesterite Cu₂ZnSnS₄ (CZTS) is considered as good absorber material for solar-cell applications because it contains only non-toxic and inexpensive metals. In the present work, we study the structural and electronic properties of CZTS using density-functional theory within the generalized gradient approximation (GGA-PBEsol). X-ray absorption spectra are obtained by solving the Bethe-Salpeter equation of many-body perturbation theory. We explore the sulfur K and L_2,3 edges in CZTS as well as in binary phases like ZnS etc. The ab-initio calculations are carried out by the all-electron full-potential code exciting. A detailed analysis of the observed spectral signatures is performed by comparison with available experimental data.