Thursday
Thursday, September 13
registration and coffee will be available starting at 7.30
8.30 - 10.00 Breakout Session A: CZTS and Related Materials
Chair: Prof. Schorr
8.30 Surface analysis of CZTS films by the tip-enhanced Raman scattering
Kazuki Wakita (1), Raul Paucal (1), Yong-Gu Shim (2), Nazim Mamedov (3)
(1) Chiba Institute of Technology, (2) Osaka Prefecture University, (3) Institute of Physics Azerbaijan National Academy of Sciences
8.45 The electrical transport conductivity in Cu2Zn(Ge,Sn)Se4 solid solutions powders
M. Guc (1), G. Gurieva (2), S. Schorr (2,3), E. Arushanov (1)
(1) Institute of Applied Physics, MD-2028 Chisinau, Republic of Moldova, (2) Helmholtz Zentrum Berlin für Materialien und Energie, Berlin D-14109, Germany, (3) Freie Universität Berlin, Institut für Geowissenschaften, D-12249 Berlin, Germany
9.00 Controlling order parameter in ZnGeP2: A promising II-IV-V2 material for silicon-based optoelectronics
Rekha Schnepf (1,2), Aaron Martinez (1,2), Prashun Gorai (1,2), John Mangum (1,2), Brenden Ortiz (1), Noemi Leick (2), Paul Ndione (2), Paul Stradins(1,2), Eric Toberer (1,2) and Adele Tamboli (2)
(1) Colorado School of Mines, (2) National Renewable Energy Lab
9.15 The Growth of CuGaTe2 Thin Film by Two-step Closed Space Sublimation
Aya Uruno (1), Masakazu Kobayashi (1,2)
(1)Waseda University, Dept. of Elec. Eng. & Biosci., (2) Waseda University, Kagami Mem. Res. Inst. for Mat. Sci. & Technol.
9.30 Band engineering of Cu chalcogenides for high efficiency solar cells
(invited) Takahiro Wada and Tsuyoshi Maeda
Ryukoku University
8.30 - 10.00 Breakout Session B: Functional Oxides
Chair: Prof. Rohrer
8.30 Bond disproportionation, charge self-regulation and ligand holes in s-p and in d electron ABX3 perovskites by density functional theory
G. M. Dalpian,(1,2) Q. Liu,(1) J. Varignon,(3) M. Bibes (3) and Alex Zunger(1)
(1)University of Colorado Boulder 80309, Boulder, CO, USA (2) Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, 09210-580, Santo André, SP, Brazil (3) Unité Mixte de Physique, CNRS, Thales, Université Paris Sud, Université Paris-Saclay, 91767, France
8.45 Broadband Permittivity Characterization and Modeling of Tunable Combinatorial Dielectric Thin Films
Eric Marksz (1,2), Aaron Hagerstrom (1), Jasper Drisko (1), Christian Long (1), Ichiro Takeuchi (2), Nathan Orloff (1)
(1) Communications Technology Laboratory (CTL), National Institute of Standards and Technology (NIST), 325 Broadway, Boulder, CO 80305 (2) Department of Materials Science and Engineering, University of Maryland, College Park, MD 20742
9.00 The challenge of defect identification in complex compounds - what can you do with positron annihilation spectroscopy? (cancelled - session break)
(invited) Filip Tuomisto
Aalto University
9.30 Search for the nitride perovskite LaWN3, from prediction to characterization
Kevin Talley(1,2), John Mangum(2), Craig Perkins(1), Rachel Woods-Robinson(1,3), Apurva Mehta (4), Brian Gorman(1, 2), Geoff Brennecka(2), and Andriy Zakutayev(1, 2)
(1) National Renewable Energy Laboratory, (2) Colorado School of Mines, (3) University of California-Berkeley, (4) SLAC National Accelerator Laboratory
9.45 Single-step fabrication method and SEM/EDS phase analysis of a low-work-function scandate cathode
Tucker Hensen (1), Casey Farnell (2), John Chandler (1), Daisy Williams (1), John Williams (1)
(1) Colorado State University, (2) Plasma Controls LLC
8.30 - 10.00 Breakout Session C: Materials Data
Chair: Prof. Toberer
8.30 Materials Informatics Search for Novel Multicomponent 2D Materials
(invited) Richard G. Hennig (1), Michael Ashton (1,2), Joshua Paul (1), Benjamin C. Revard (1)
(1) University of Florida, (2) Max-Planck Institute für Eisenforschung
9.00 Applications of Machine Learning for Materials Discovery using the NREL High Throughput Experimental Materials Database
Caleb Phillips (1,2), Andriy Zakutayev (1,3), Marcus Schwarting (1,4), John Perkins (1)
(1) National Renewable Energy Laboratory (2) University of Colorado, Boulder (3) Colorado School of Mines, (4) University of Louisville
9.15 Rationale Design of Multinary Chemical Looping Compounds
Nick Singstock (1), Chris Bartel (2), Aaron Holder (3), Charles Musgrave (3)
(1,2,3,4) University of Colorado Boulder, (3) NREL
9.30 Using machine learning techniques to predict novel ternary amorphous alloy compositions
Rachel L Schoeppner (1), Jason Hattrick-Simpers (2), Logan Ward (3), Suchismita Sarker (4), Andriy Zakutayev (1,5), Corinne Packard (1,5), Brad Boyce (6), Apurva Mehta (4)
(1) Colorado School of Mines, (2) National Institute of Standards and Technology, (3) University of Chicago, (4) Stanford Linear Accelerator Center, (5) National Renewable Energy Laboratory, (6) Center for Integrated Nanotechnologies,
10.00 - 10.30 Morning Break
coffee and snacks will be provided
10.30 - 12.00 General Session: Oxides
Chair: Prof. Brennecka
10.30 Band gap formation in classic Mott insulators: anti ferromagnetic and paramagnetic ABO 3 perovskite oxides
(invited) Alex Zunger (1), Giancarlo Trimarchi (2), Julien Varignon (3), Manuel Bibes (3)
(1) University of Colorado, Boulder Colorado 80309 (2) Northwestern University, Evanston (3) Unité Mixte de Physique, CNRS, Thales, Université Paris Sud, Université Paris-Saclay, 91767, France
11.00 Enabling p-type doping in In2O3 and Ga2O3 by a band engineering through alloying
Fernando P. Sabino, Anderson Janotti
Department of Materials Science and Engineering, University of Delaware, Newark, Delaware, USA
11.15 Accelerated Discovery of Ternary and Quaternary Oxides for Solar Fuels Applications
(invited) John M. Gregoire
Caltech
11.45 Seeded synthesis of meta-stable negative thermal expansion materials: ZrW2O8 and Zr2WP2O12
Margaret E. Gordon (1), Philippe F. Weck (1), Jeffery A Greathouse (1), Clay Payne (1), Charles Bryan (1)
(1) Sandia National Laboratory
12.00 - 12.15 Closing Remarks
13.00 - 17.00 Tour of NREL
8.30 - 10.00 Breakout Session B: Functional Oxides
Chair: Prof. Rohrer
8.30 Bond disproportionation, charge self-regulation and ligand holes in s-p and in d electron ABX3 perovskites by density functional theory
G. M. Dalpian,(1,2) Q. Liu,(1) J. Varignon,(3) M. Bibes (3) and Alex Zunger(1)
(1)University of Colorado Boulder 80309, Boulder, CO, USA (2) Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, 09210-580, Santo André, SP, Brazil (3) Unité Mixte de Physique, CNRS, Thales, Université Paris Sud, Université Paris-Saclay, 91767, France
8.45 Broadband Permittivity Characterization and Modeling of Tunable Combinatorial Dielectric Thin Films
Eric Marksz (1,2), Aaron Hagerstrom (1), Jasper Drisko (1), Christian Long (1), Ichiro Takeuchi (2), Nathan Orloff (1)
(1) Communications Technology Laboratory (CTL), National Institute of Standards and Technology (NIST), 325 Broadway, Boulder, CO 80305 (2) Department of Materials Science and Engineering, University of Maryland, College Park, MD 20742
9.00 The challenge of defect identification in complex compounds - what can you do with positron annihilation spectroscopy?
(invited) Filip Tuomisto
Aalto University
9.30 Search for the nitride perovskite LaWN3, from prediction to characterization
Kevin Talley(1,2), John Mangum(2), Craig Perkins(1), Rachel Woods-Robinson(1,3), Apurva Mehta (4), Brian Gorman(1, 2), Geoff Brennecka(2), and Andriy Zakutayev(1, 2)
(1) National Renewable Energy Laboratory, (2) Colorado School of Mines, (3) University of California-Berkeley, (4) SLAC National Accelerator Laboratory
9.45 Single-step fabrication method and SEM/EDS phase analysis of a low-work-function scandate cathode
Tucker Hensen (1), Casey Farnell (2), John Chandler (1), Daisy Williams (1), John Williams (1)
(1) Colorado State University, (2) Plasma Controls LLC
8.30 - 10.00 Breakout Session C: Materials Data
Chair: Prof. Toberer
8.30 Materials Informatics Search for Novel Multicomponent 2D Materials
(invited) Richard G. Hennig (1), Michael Ashton (1,2), Joshua Paul (1), Benjamin C. Revard (1)
(1) University of Florida, (2) Max-Planck Institute für Eisenforschung
9.00 Applications of Machine Learning for Materials Discovery using the NREL High Throughput Experimental Materials Database
Caleb Phillips (1,2), Andriy Zakutayev (1,3), Marcus Schwarting (1,4), John Perkins (1)
(1) National Renewable Energy Laboratory (2) University of Colorado, Boulder (3) Colorado School of Mines, (4) University of Louisville
9.15 Rationale Design of Multinary Chemical Looping Compounds
Nick Singstock (1), Chris Bartel (2), Aaron Holder (3), Charles Musgrave (3)
(1,2,3,4) University of Colorado Boulder, (3) NREL
9.30 Using machine learning techniques to predict novel ternary amorphous alloy compositions
Rachel L Schoeppner (1), Jason Hattrick-Simpers (2), Logan Ward (3), Suchismita Sarker (4), Andriy Zakutayev (1,5), Corinne Packard (1,5), Brad Boyce (6), Apurva Mehta (4)
(1) Colorado School of Mines, (2) National Institute of Standards and Technology, (3) University of Chicago, (4) Stanford Linear Accelerator Center, (5) National Renewable Energy Laboratory, (6) Center for Integrated Nanotechnologies,
10.00 - 10.30 Morning Break
coffee and snacks will be provided
10.30 - 12:00 General Session: Oxides
Chair: Prof. Brennecka
10.30 Band gap formation in classic Mott insulators: anti ferromagnetic and paramagnetic ABO 3 perovskite oxides
(invited) Alex Zunger (1), Giancarlo Trimarchi (2), Julien Varignon (3), Manuel Bibes (3)
(1) University of Colorado, Boulder Colorado 80309 (2) Northwestern University, Evanston (3) Unité Mixte de Physique, CNRS, Thales, Université Paris Sud, Université Paris-Saclay, 91767, France
11.00 Enabling p-type doping in In2O3 and Ga2O3 by a band engineering through alloying
Fernando P. Sabino, Anderson Janotti
Department of Materials Science and Engineering, University of Delaware, Newark, Delaware, USA
11.15 Accelerated Discovery of Ternary and Quaternary Oxides for Solar Fuels Applications
(invited) John M. Gregoire
Caltech
11.45 Seeded synthesis of meta-stable negative thermal expansion materials: ZrW2O8 and Zr2WP2O12
Margaret E. Gordon (1), Philippe F. Weck (1), Jeffery A Greathouse (1), Clay Payne (1), Charles Bryan (1)
(1) Sandia National Laboratory