First-principles study of the electronic structure and the Fermi surface in rare-earth filled skutterudites RPt4Ge12

@article{Pascut2019FirstprinciplesSO,
  title={First-principles study of the electronic structure and the Fermi surface in rare-earth filled skutterudites 
RPt4Ge12},
  author={Gheorghe Lucian Pascut and Michael Widom and Kristjan Haule and Khandker F. Quader},
  journal={Physical Review B},
  year={2019}
}
Experiments on rare-earth filled skutterudites demonstrate an intriguing array of thermodynamic, transport, and superconducting properties, and bring to fore theoretical challenges posed by $f$-electron systems. First-principle calculations based density functional theory and its extensions for strongly correlated systems such as the Hubbard $U$ correction, provide valuable information about electronic structure that can be used to understand experiments. We present a comprehensive study of the… Expand
1 Citations
The effect of spin–orbit interaction on superconductivity in the filled skutterudites MPt4Ge12(M=Ba, Sr and Th)
ABSTRACT Ab initio pseudopotential calculations have been conducted for the superconducting filled skutterudite compounds BaPt Ge , SrPt Ge , and ThPt Ge in order to explore the effect of spin–orbitExpand

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