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Thursday, July 22, 2010
11:00 AM - 11:30 AM
CNLS Conference Room (TA-3, Bldg 1690)

Student Seminar

Density Functional Theory Directed Search for Ce-based Layered Superconductors

Daniel J. Fredeman
T-CNLS and Cornell University Department of Materials Science, Hennig Research Group

CeRhIn5 and CePt2In7 are two examples of cerium-based ternaries which exhibit superconducting properties. Containing a layered structure on a square planar lattice, the structural properties of these compounds are comparable to those of many cuprates, organic superconductors, and other unconventional superconductors of high Tc. While the mechanism of unconventional superconductivity is still not well understood, pursuing these properties in other high fermion Ce-based systems may reveal compounds of superconducting potential. Experimental costs can be heavy, however, and a method for predicting the stability of potentially superconducting compounds is essential. I will present a computational method driven by a DFT directed search that enables us to predict the phase stability of a compound.

Host: Sven Rudin