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cond-mat.supr-con2010★ 11 cited
Tight-binding Hamiltonian for LaOFeAs
D. A. Papaconstantopoulos, M. J. Mehl, M. D. Johannes
First-principles electronic structure calculations have been very useful in understanding some of the properties of the new iron-based superconductors. Further explorations of the…
cond-mat.mtrl-sci2010
Density Functional Study of the L1_0 - alpha-IrV Transition in IrV and RhV
Michael J. Mehl, Gus L. W. Hart, Stefano Curtarolo
Both IrV and RhV crystallize in the alpha-IrV structure, with a transition to the higher symmetry L1_0 structure at high temperature, or with the addition of excess Ir or Rh. Here…