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New Materials

The connection between the electronic, mechanical, and magnetic properties of nanostructures and their structure, size, and composition are understood only for the simplest of nanostructures. Therefore, theoretical input into the properties of individual complex nanostructures is greatly needed. The Theory Facility has three internal projects that study fundamental properties of complex nanostuctures, and to take advantage of the strong capabilities for synthesis in the Foundry we have also begun forming internal collaborations in this area.

Electronic structure calculations of tapered silicon nanowires
Collaborator: J. C. Grossman, COINS/UC-Berkeley
Studies of spin and charge order in nanostructures, 2007-present
Foundry User: J. E. Moore, UC-Berkeley
Electronic Structure of Multiferroics, 2007-present
Foundry User: N. A. Spaldin, UC-Santa Barbara
Electronic Structure of Nanostructured Transition Metal Oxides for Energy Applications, 2007- present
Foundry User: C. J. Fennie, Argonne National Lab
Stark effect in charged P-centers in doped silicon for quantum computation, 2007-present
Collaborator: J. Bokor, UC-Berkeley
Determination of the solubility limit of TiO2 in ferrite by ab-initio calculations, 2007-present
Collaborator: B. D. Wirth, UC-Berkeley