Condensed Matter Theory/Quantum Theory

Steven G. Louie, Program Leader

This is a broad-based program to understand and compute material properties and behaviors involving three principal investigators and covering two complementary efforts:
1) quantum theory of materials, and
2) strongly correlated electron systems.

Novel materials and new concepts are explored. A variety of theoretical techniques is employed, ranging from first-principles electronic structure calculations to new conceptual and computational frameworks suitable for complex materials/nanostructures and strongly interacting electron systems. One focus is to investigate realistic systems employing microscopic, first-principles approaches. Model systems are also examined. Studies include bulk materials, nanostructures, superconductors, surfaces and interfaces, and reduced-dimensional systems. Close collaboration with experimentalists is maintained. Another emphasis is to push the frontier of theory beyond the Landau paradigm toward a framework capable of describing and predicting the behavior of strongly correlated systems. Through interaction with experiment, new phases, new phase transitions, and new organization principles may be discovered. Equally important is the development of computational methods suitable for increasingly complex materials and strongly correlated materials.


CURRENT PROJECTS

Quantum Theory of Materials (M. L. Cohen and S. G. Louie)

Formalism and calculations for electronic and structural properties of solids
Superconductivity and electron-phonon interactions
Quasiparticle excitations and optical response of solids and nanostructures
Electron transport through nanostructures

Strongly Correlated Electron Systems (D.-H. Lee )

Bose condensation of spin-charge separated defects in topological insulators
Quenching of Rabi oscillation in an ohmic environment
Checkerboard-like spin texture in a spin-1 Bose condensate
Renormalization group study of possible electronically-induced superconducting pairing in MO1-xFxFeAs
Persistent low temperature flux noise in a SQUID