Scientific Interests

I am interested in ab initio modeling of materials and their properties in general, and have so far dealt with ferroelectrics, especially ferroelectric perovskites, for piezoelectric applications, and electrode materials for Li-ion batteries. Currently I study the light absorption properties of CZTS, an absorber material for thin-film solar cells.

Publications [LaTeX]

Papers

International Journals

1 - Stable hybrid organic-inorganic halide perovskites for photovoltaics from ab-initio high-throughput calculations
S. Körbel, M.A.L. Marques, and S. Botti
J. Mater. Chem. A 6, 6463-6475 (2018)

2 - Size-dependent optical absorption of Cu₂ZnSn(Se,S)₄ quantum dot sensitizers from ab initio many-body methods
S. Körbel, P. Boulanger, X. Blase, M.A.L. Marques, and S. Botti
Eur. Phys. J. B (special issue for the 65th birthday of Hardy Gross) 91, 215 (2018)

3 - Stable single-phase Zn-rich Cu₂ZnSnSe₄ through In doping
S. Hartnauer, S. Körbel, M.A.L. Marques, S. Botti, P. Pistor, and R. Scheer
APL Mater. 4, 070701 (2016)

4 - Stability and electronic properties of new inorganic perovskites from high-throughput ab initio calculations
S. Körbel, M.A.L. Marques, and S. Botti
J. Mater. Chem. C 4, 3157-3167 (2016)

5 - Prediction of Stable Nitride Perovskites
R. Sarmiento-Pérez, T.F.T. Cerqueira, Sabine Körbel, Silvana Botti, and M.A.L. Marques
Chem. Mater. 27, 5957-5963 (2015)

6 - Optical properties of Cu-chalcogenide photovoltaic absorbers from self-consistent GW and the Bethe-Salpeter equation
S. Körbel, D. Kammerlander, R. Sarmiento-Pérez, C. Attaccalite, M.A.L. Marques, and S. Botti
Phys. Rev. B 91, 075134 (2015)

7 - Benchmark Many-Body GW and Bethe-Salpeter calculations for small transition-metal molecules
S. Körbel, P. Boulanger, I. Duchemin, X. Blase, M.A.L. Marques, and S. Botti
J. Chem. Theory Comput. 10, 3934-3943 (2014)

8 - Ab initio and atomistic study of ferroelectricity in copper-doped potassium niobate
S. Körbel, and C. Elsässer
Phys. Rev. B 84, 014109 (2011)

9 - Formation of vacancies and copper substitutionals in potassium sodium niobate under various processing conditions
S. Körbel, P. Marton, and C. Elsässer
Phys. Rev. B 81, 174115 (2010)