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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 8th 2018 (Radisson Blu Hotel)

18:00

21:00

 

Registration

Tuesday, October 9th 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-GaOx

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 10th 2018 (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 11th 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 12th 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