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Botana group

Computational Condensed Matter Physics

We are a computational condensed matter theory group in the Department of Physics at Arizona State University. We study fundamental physics of strongly correlated electron systems, with special focus on magnetism and superconductivity.

 Research interests

A few keywords describing our research interests are...



 Computational Tools

Density-functional theory

Kohn-sham equation

Density-functional theory (DFT) is a computational workhorse throughout the entire computational condensed matter and material science community. DFT is a beautiful effort to solve the realistic many-body problem for a real solid by mapping the intractable interacting problem to a completely fictitious non-interacting problem using only the charge density to connect the fictitious system to the real system.

Dynamical mean-field theory

It turns out that the DFT does not capture some of the physics in strongly correlated materials, because the wavefunctions of open shell d- and f-electrons are much more localized. Dynamical mean-field theory (DMFT) is a non-perturbative method to treat local interactions dynamically. This consists of mapping the many-body lattice problem onto a local impurity problem. DMFT can be coupled with DFT methods as a better computational framework to capture the physics of strongly correlated materials.

dmft schematic