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HL: Fachverband Halbleiterphysik
HL 90: Poster III
HL 90.9: Poster
Thursday, March 10, 2016, 16:00–19:00, Poster A
X-Ray Absorption of Kesterite-Based Materials Studied from First Principles — •Archana Manoharan1, Lorenzo Pardini1, Karsten Hannewald1,2 und Claudia Draxl1,2 — 1Humboldt-Universität zu Berlin, Institut für Physik und IRIS Adlershof, Zum Groβen Windkanal 6, 12489 Berlin, Germany. — 2Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany.
The kesterite material Cu2ZnSnS4 (CZTS) and its Ge-substituted derivative Cu2ZnGeS4 (CZGS) are considered as good absorber material for photovoltaic applications. Here, we study the X-ray absorption spectra of CZTS and CZGS by solving the Bethe-Salpeter equation of many-body perturbation theory on top of density-functional theory. The ab-initio calculations are carried out using the all-electron full-potential code exciting. Special emphasis is put on comparative studies of the sulfur K and L2,3 edges in CZTS and CZGS as well as in its stable binary phase ZnS. A detailed analysis and interpretation of the observed spectral signatures, in particular, the Coulomb interaction between core hole and conduction electrons is performed.