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The Band Theory Group performs ab initio computational studies of the electronic properties of strongly scattering and correlated d and f electron systems. Density Functional Theory underpins the calculations of the Band Theory Group. Research projects include studies of the valency of the rare earth and actinide ions in f electron systems, study of the metal insulator transition in YBCO, studies of the quasi particle spectra of YBCO in the superconducting state, studies of electronic and magnetic properties of magnetic multilayers, such as quantum wells, and studies of the electron-positron correlations in solids. The field includes the study of metals, antiferromagnetic insulators, magnets, and superconductors from microscopic quantum mechanical calculations. The activities encompass such highly topical areas as magnetoelectronics (GMR, CMR, spin-transistors) and high-temperature superconductors. The Band Theory Group provides coordination of the Psi-k Network and edits the Psi-k Newsletter.
| Recent paper in Nature on "Lanthanide contraction and magnetism in the heavy rare earth elements" |
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The Band Theory Group is funded through CCP9, the EPSRC's collaborative computational project on the electronic structure of solids.