First-principles theory of intermediate-valence f-electron systems.

@article{ColarietiTosti2004FirstprinciplesTO,
  title={First-principles theory of intermediate-valence f-electron systems.},
  author={M Colarieti-Tosti and M. I. Katsnelson and M. Mattesini and Sergei I Simak and Rajeev Ahuja and B{\"o}rje Johansson and Claudia Dallera and Olle Eriksson},
  journal={Physical review letters},
  year={2004},
  volume={93 9},
  pages={096403}
}
We propose a first-principles based method for calculating the electronic structure and total energy of solids in an intermediate-valence configuration. The method takes into account correlation effects (d-f Coulomb interaction) and many-body renormalization of the effective hybridization parameter of the f system. As an example, the formation of a pressure-induced intermediate-valence state in Yb is considered and its electronic structure and equation of state are calculated and compared to… CONTINUE READING

From This Paper

Topics from this paper.

Similar Papers

Loading similar papers…