• Theory of Photovoltaic Semiconductors: Modeling and predictions pertaining to PV materials and phenomena, used to support a wide range of experimental PV research.
• Statistical & Electronic Theory of Metal and Semiconductor Alloy: Developing and testing a theory of spontaneous long-range order in semiconductor alloys, researching the structural properties of defects on semiconductor surfaces, and the study of III-V Nitrides.
• Semiconductor Nanostructures: State of the art calculations of the electronic structure of a wide range of semiconductor nanostructures, ranging from 2 dimensional quantum wells and superlattices to 0 dimensional quantum dots [Taken from http://www.sst.nrel.gov/topics/nano/nano.html].
• Computational Methods in First-Principles Theories: Modern crystal-growth techniques, such as molecular beam epitaxy or metallorganic chemical-vapor deposition, are capable of producing prescribed crystal structures, sometimes even in defiance of equilibrium, bulk thermodynamics. Unfortunately, the number of possible combinations is so vast and the electronic properties are so sensitive to the details of the crystal structure that simple trial-and-error methods are unlikely to be successful. SST has developed a new computational method that addresses the fundamental problem of finding the atomic configuration of a complex, multi-component system that produces a target electronic-structure property. This method can be viewed as the theoretical counterpart of combinatorial chemistry. Conventional electronic-structure theory proceeds by first specifying the atomic coordinates of a given structure, and then calculating the electronic properties. SST’s "inverse approach" allows them to determine the crystal structure having pre-assigned electronic and optical properties. [Taken from http://www.sst.nrel.gov/topics/inverse.html].

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