Understanding Defects in Functional Materials
FOCUS · MAR-S24 · ID: 3999279
Presentations
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Lone-Pair-Driven Vacancy Formation in Lead Niobate
ORAL
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Presenters
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Daniel T Hickox-Young
- Augsburg University
Authors
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Jake O'Hara
- University of Michigan
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Jonathan Auckenthaler
- Augsburg University
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Daniel Olds
- Brookhaven National Lab
- Brookhaven National Laboratory
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Hayden Evans
- NIST
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Robin Macaluso
- University of Texas, Arlington
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Geneva Laurita
- Bates College
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Daniel T Hickox-Young
- Augsburg University
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Turning Disorder into Quantum Devices: Mechanistic Insights into Spin-Defect Formation and Control in Wide-Bandgap Semiconductors
ORAL · Invited
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Publication: [1] Lee, E.M.Y., et al. Stability and molecular pathways to the formation of spin defects in silicon carbide. Nat Commun 12, 6325 (2021).
[2] Singsen, S., To, S., Yu, A., and Lee, E.M.Y. Molecular origins of charge-state stability in diamond spin defects at aqueous interfaces. In preparation (2025)
Presenters
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Elizabeth M. Y. Lee
- University of California, Irvine
Authors
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Elizabeth M. Y. Lee
- University of California, Irvine
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Doping-Controlled Magnetization in 1D and 2D Organic Semiconductors
ORAL
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Presenters
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Mohammed Z Malik
- North Carolina State University
Authors
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Mohammed Z Malik
- North Carolina State University
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Abhradeep Sarkar
- North Carolina State University
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Amiya Paul
- North Carolina State University
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Raja Ghosh
- North Carolina State University
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Engineering Paramagnetic Spin Centers in Chemically Doped Organic Semiconductor.
ORAL
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Publication: 1. Preprint version 1: https://doi.org/10.26434/chemrxiv-2025-hn0gf
2. Preprint version 2: https://doi.org/10.26434/chemrxiv-2025-hn0gf-v2Presenters
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Amiya Paul
- North Carolina State University
Authors
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Amiya Paul
- North Carolina State University
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Mohammed Z Malik
- North Carolina State University
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Raja Ghosh
- North Carolina State University
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Exploring p-type dopants in the Zintl phosphide AM<sub>2</sub>P<sub>2</sub> solar absorbers
ORAL
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Presenters
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Yagmur Coban
- Dartmouth College
Authors
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Yagmur Coban
- Dartmouth College
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Zhenkun Yuan
- Dartmouth College
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Shaham Quadir
- National Renewable Energy Laboratory
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Smitakshi Goswami
- Dartmouth College
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Maria Klymenko
- Dartmouth College
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Gideon Kassa
- Dartmouth College
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Will Scheideler
- Dartmouth College
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Jifeng Liu
- Dartmouth College
- Materials Science and Engineering,Thayer School of Engineering, Dartmouth College
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Sage Bauers
- National Renewable Energy Laboratory
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Geoffroy Hautier
- Rice University
- Dartmouth College
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Molecular-beam epitaxy of Sb<sub>2</sub>Te<sub>3</sub>-based alloys via metallic nucleation layers
ORAL
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Presenters
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Soren Hellyer
- University of Michigan
Authors
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Soren Hellyer
- University of Michigan
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Yury Turkulets
- University of Michigan
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Hailey D McKenna
- University of Michigan, Ann Arbor
- University of Michigan
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Jesus Herrera
- University of Michigan
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Avelo Cohen
- University of Michigan
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Abby Liu
- University of Michigan, Ann Arbor
- University of Michigan
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Rachel S Goldman
- University of Michigan
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Role of divacancy in adsorption behavior of transition metal atoms on monolayer MoS<sub>2</sub> based on first-principles calculations
ORAL
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Presenters
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Mia Son
- University of Texas at Austin
Authors
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Mia Son
- University of Texas at Austin
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Brian H Lee
- University of Texas at Austin
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Wennie Wang
- University of Texas at Austin
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Temperature-Dependent Ferroelectric Properties of Pristine and Defective ScₓAl₁₋ₓN: Insights from Ab Initio Molecular Dynamics
ORAL
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Presenters
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Shiva Prasad Poudel
- University of Michigan
Authors
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Shiva Prasad Poudel
- University of Michigan
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Emmanouil Kioupakis
- University of Michigan
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Piezoelectric AlN-based alloys, a first-principles study of structures, thermodynamics and properties.
ORAL
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Presenters
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Laszlo T Wolf
- Colorado School of Mines
Authors
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Laszlo T Wolf
- Colorado School of Mines
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Geoff Brennecka
- Colorado School of Mines
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Vladan Stevanovic
- Colorado School of Mines
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Doping in BiOCuS Material
ORAL
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Presenters
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Anna Berseneva
- National Renewable Energy Laboratory (NREL)
Authors
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Anna Berseneva
- National Renewable Energy Laboratory (NREL)
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Rebecca Smaha
- National Renewable Energy Laboratory (NREL)
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Trevor Martin
- National Renewable Energy Laboratory
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The effect of point defects on the dielectric properties of semiconductor materials: structure, charge, and concentration.
ORAL
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Publication: Planned Papers (titles provisional): Optical Properties of GaAs in the Presence of Point Defects, Dielectric Permittivity of GaAs with Realistic Defect Concentrations.
Presenters
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Stephen Fluckey
- Los Alamos National Laboratory (LANL)
Authors
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Stephen Fluckey
- Los Alamos National Laboratory (LANL)
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Blas Pedro Uberuaga
- Los Alamos National Laboratory (LANL)
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Xiang-Yang Liu
- Los Alamos National Laboratory
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Diffusive molecular dynamics simulations of boron diffusion in Si-B δ-layers
ORAL
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Presenters
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William Broker
- Haverford College
Authors
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William Broker
- Haverford College
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Juan P Mendez
- Sandia National Labs
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