Theoretical Solid State Physics

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Research will be conducted in theoretical condensed matter physics and materials research covering the fields of semiconductors, transition metals, surfaces and interfaces, superlattices, defects, superconductivity, materials under pressures, clusters and many- body effects in solids. The major objective is to explain and predict the properties of real materials at the microscopic level from first principles. Several different approaches are employed. Structural and bonding properties are obtained using ab initio pseudopotential density functional formalism; excited-state properties are calculated using a quasiparticle self-energy approach; ground state properties of correlated electronic systems are studied using a quantum Monte Carlo approach. A host of solid state properties are obtained with these methods. Among these are: structural information, phase stability, optical and photoemission spectra, charge density distributions, surface and interface characteristics, vibrational and mechanical properties, electron- phonon interaction parameters, magnetic properties, superconducting transition temperature, and a variety of other solid state phenomena. Some specific new directions are planned in the areas of solids with novel structures at high pressures, superhard materials, excitation spectra in solids, electron correlations in two-and three-dimensional systems, superconductivity in conventional, high temperature and "buckeyball" solids, metal and semiconductor clusters, solid hydrogen at megabar pressures, and semiconductor surfaces, interfaces and superlattices. %%% A broad theoretical and computational program will study the electronic structure and properties associated with materials and condensed matter systems under a variety of conditions and in different states. This group is one of the world leaders in this area of materials research.