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Program of the International CECAM-Workshop

Reliable and quantitative prediction of defect properties in Ga-based semiconductors

Bremen Center for Computational Materials Science - BCCMS
University of Bremen, October 8th - October 12th 2018

Monday, October 8^th 2018 (Radisson Blu Hotel)
18:00	–	21:00		Registration

Tuesday, October 9^th 2018 (House of Science Bremen, Downtown)
08:00	–	08:50	Registration
08:50	–	09:00	Opening and welcome, Thomas Frauenheim
Session:			Theory of defects I + II
			*Chair: Peter Deák*
09:00	–	09:40	Alfredo Pasquarello, Swiss Federal Institute of Technology, Lausanne, Switzerland Limitation to p doping in GaN due to self-compensation
09:40	–	10:20	Chris G. Van de Walle, University of California, Santa Barbara, USA First-principles studies of transport and optical properties in sesquioxides
10:20	–	10:50	Coffee Break
10:50	–	11:30	Su-Huai Wei, Beijing Computational Science Research Center, China Band structure engineering and doping control of transparent conducting oxides
11:30	–	12:10	Shengbai Zhang, Rensselaer Polytechnic Institute, Troy, New York, USA A time-dependent density functional theory molecular-dynamics prediction of non-radiative recombination at the DX center of GaAs:Si
12:10			Group photo
12:15	–	14:00	Lunch Break (Restaurant Q1) and Coffee
Session:			Growth and characterization
			*Chair: Klaus Irmscher*
14:00	–	14:40	Martin Eickhoff, University of Bremen, Germany MBE growth of metastable gallium oxide polymorphs
14:40	–	15:20	Jonathon P. Cottom, University College London, UK The effect of amorphisation on the electronic structure of oxides
15:20	–	15:50	Coffee Break
			*Chair: Michael J. Stavola*
15:50	–	16:30	Manfred Martin, RWTH Aachen University, Germany Gallium oxide – from defects in beta-Ga2O3 to amorphous, highly non-stoichiometric a-GaO_x
16:30	–	17:10	Johan Lauwaert, Ghent University, Belgium Discriminating defects and device responses in capacitance spectroscopic methods
19:00	–	21:30	Welcome Reception (Bremen Town Hall)

Wednesday, October 10^th2018 (House of Science Bremen, Downtown)
Session:			Gallium-nitrides, -oxides and -sulfides I
			*Chair: Chris G. Van de Walle*
09:00	–	09:40	Oliver Bierwagen, Paul Drude Institute, Berlin, Germany The transition of defect-related unintentional conductivity from In₂O₃ towards Ga₂O₃
09:40	–	10:20	Hans Jurgen von Bardeleben, Sorbonne University, Paris, France Gallium vacancy defects in ß-Ga₂O₃: a combined electron paramagnetic resonance and theory study
10:20	–	10:50	Coffee Break
			*Chair: Joel B. Varley*
10:50	–	11:30	Walter R. L. Lambrecht, Case Western Reserve University, Cleveland, Ohio, USA Defects in ZnGeN₂, an analog of GaN: the dominance of cation antisites
11:30	–	12:10	Christopher A. Sutton, Fritz Haber Institute of the Max Planck Society, Berlin, Germany New stable oxides
12:10	–	14:00	Lunch Break (Restaurant Q1) and Coffee
Session:			CIGS I + II
			*Chair: Suhuai Wei*
14:00	–	14:40	Malgorzata Igalson, Warsaw University of Technology, Poland Photocurrent and capacitance sprectroscopy for defect characterization in CIGS
14:40	–	15:20	Susanne Siebentritt, University of Luxembourg, Belvaux, Luxembourg Defects in CuGaSe₂ and CuInSe₂: experiment versus theory
15:20	–	15:50	Coffee Break
			*Chair: Stefan Lany*
15:50	–	16:30	Zhi Zeng, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei, China Defect level to intermediate band in Ga-based semiconductor
16:30	–	17:10	Hannu-Pekka Komsa, Aalto University, Espoo, Finland Light vs heavy alkali metal impurities in CIGS solar cells
17:10	–	17:50	Emilio Nogales Díaz, Complutense University of Madrid, Spain Cr as emitting dopant in ß-Ga₂O₃ for widely tunable optical microcavities
18:40			Bus Pickup to Conference Dinner (Venue: Radisson Blu Hotel, Wachtstraße)
19:00	–	22:30	Conference Dinner (Restaurant Juergenshof)

Thursday, October 11^th 2018 (House of Science Bremen, Downtown)
Session:			Gallium-nitrides, -oxides and -sulfides II
			*Chair: Zhengbai Zhang*
09:00	–	09:40	Klaus Irmscher, Leibniz Institute for Crystal Growth, Berlin, Germany Doping and defects in ß-Ga₂O₃
09:40	–	10:20	Michael J. Stavola, Lehigh University, Bethlehem, Pennsylvania, USA Structure and vibrational properties of OH-centers in beta-Ga₂O₃
10:20	–	10:50	Coffee Break
10:50	–	11:30	Joel B. Varley, Lawrence Livermore National Laboratory, California, USA Defects and charge localization in Ga-oxides and sulfides
11:30	–	12:10	Peter Deák, University of Bremen, Germany Intrinsic carrier trapping and luminescence in beta-Ga₂O₃
12:10	–	13:30	Lunch Break (Restaurant Q1) and Coffee
Session:			CIGS II
			*Chair: Susanne Siebentritt*
13:30	–	14:10	Martin Feneberg, Otto von Guericke University, Magdeburg, Germany Influence of many-body effects on optical properties of III-Nitrides
14:10	–	14:50	Susan Schorr, Helmholtz Center for Materials and Energy, Berlin, Germany A structural perception of intrinsic point defects in CIGS
14:50	–	15:30	Darius Kuciauskas, National Renewable Energy Laboratory, Golden, Colorado, USA Optical metastability in CulnGa(Se)₂ solar cells
15:30	–	16:10	Christoph Lienau, University of Oldenburg, Germany Coherent manipulation of single and dipole-coupled quantum dots in GaAs-based nanostructues
17:25			Poster Mounting
17:30	–	21:00	Poster Session, Catering Buffet (House of Science)

Friday, October 12^th 2018 (House of Science Bremen, Downtown)
Session:			Phases and extended defects
			*Chair: Thomas Frauenheim*
09:00	–	09:40	Stephan Lany, National Renewable Energy Laboratory, Golden, Colorado, USA Defect phase diagrams for wide gap and photovoltaic semiconductors
09:40	–	10:20	Dirk Lamoen, University of Antwerp, Antwerpen, Belgium Structure and electronic properties of defects at grain boundaries in CIGS
10:20	–	10:50	Coffee Break
10:50	–	11:30	Karsten Albe, Technical University of Darmstadt, Germany First-principles calculations on dislocation-point defect interactions in Cu(In,Ga)Se₂ solar cell absorbers
11:30	–	12:10	Michael Lorke, University of Bremen, Germany Carbon in GaN revisited
12:10	–	12:20	*Closing words: Thomas Frauenheim*
12:20			Departure