Work at Northwestern University will use first-principles density functional theory (DFT) methods, supplemented with phenomenological models, group theory (symmetry), materials informatics, and chemistry principles to: (1) Evaluate the phase stability of competing ground states owing to coupled order parameters in single phase materials; and (2) Explore routes to design perovskites oxide superlattices to be near functional electronic phase boundaries from control of lattice modes and interfacial structure. (3) Simulate the dynamics of coupled lattice modes in bulk and thin film materials under opti-cal excitation.
|Effective start/end date||8/15/17 → 10/31/20|
- Pennsylvania State University (5709-NU-DOE-2375 // DE-SC0012375)
- Department of Energy (5709-NU-DOE-2375 // DE-SC0012375)
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