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Physics Colloquium, Cyrus E. Dryer, Theoretical identification and characterization of point defects

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Physics Colloquium, Cyrus E. Dryer, Theoretical identification and characterization of point defects
When Oct 16, 2019
from 04:00 PM to 05:00 PM
Where MR418N
Contact Name
Contact Phone 212-650-7443
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Cyrus E. Dryer

Assistant Professor
Affiliated Associate Research Scientist
Department of Physics and Astronomy
Stony Brook University, Stony Brook, NY
Center for Computational Quantum Physics
Flatiron Institute, New York, NY

Theoretical identification and characterization of point defects


Abstract:

Point lattice defects and impurities are ubiquitous in all condensed-matter systems and have a profound effect on materials properties. Modern computing hardware is based on semiconductors, where the conductivity is controlled by precise engineering of point defects; on the other hand, unintentional defects limit the efficacy of devices such as light-emitting diodes and solar cells. More recently, point defects have been utilized as quantum systems for quantum computing, communication, and metrology, since they combine the often-contradictory properties of environmental isolation and precise addressability necessary for such technologies. In spite of decades of fruitful studies, identification and characterization of point defects is still a challenge, and modern first-principles methods based on Density-Functional Theory are playing an increasingly critical role. In this talk I will discuss how these methods can be used to explore and predict defect properties, and give examples addressing defects important to the applications mentioned above.
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The Dreyer group develops and implements first-principles techniques base on density functional theory to determine the properties of electronic materials. Our approach is to combine basic theories of condensed matter and materials physics with modern first-principles implementations. This often involves developing methods to extract new parameters or properties from such calculations. The results of these calculations are applied in two directions. The first is to explore materials and device properties, either to explain observed behavior, or predict new materials or device designs. The second is to develop capabilities to calculate specific signatures that can be compared directly with experimental characterization techniques.