### Abstract

We have performed ab initio calculations based on t-matrix formalism in the framework of the nearly free electron [NFE] theory to determine the electrical resistivity ρ and the thermoelectric power S of three liquid alkali metals, namely, Na, K and Rb. The present approach is primarily based on the Dreirach model that considers a shift E_{B} between the bottom of the free electrons density-of-states (DOS) and the muffin tin zero (V_{MTZ}). Concurrently the second model initiated by Esposito et al. that takes into account the nearly free electrons (NFE) without any gap between NFE-DOS and V_{MTZ} has also been tested. The results ρ and S obtained from the Esposito et al. model are not consistent with experimental counterparts. A substantial improvement of ρ and S values is obtained from Dreirach model provided the temperature dependence of ρ versus energy is considered in order to reproduce the correct sign for S. This observation is presumably related to the fact that in the range between 0 and E_{F} on the energy scale, the DOS for these metals fairly resemble those of free electrons yielding their effective valence N_{c} to be very close to the valence number Z but with a shift of the bottom of the band which cannot be neglected.

Original language | English |
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Pages (from-to) | 4978-4981 |

Number of pages | 4 |

Journal | Physica B: Physics of Condensed Matter |

Volume | 405 |

Issue number | 24 |

DOIs | |

Publication status | Published - Dec 15 2010 |

### Keywords

- Alkali metals
- Electrical transport
- t-matrix formalism

### ASJC Scopus subject areas

- Condensed Matter Physics
- Electronic, Optical and Magnetic Materials
- Electrical and Electronic Engineering

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## Cite this

*Physica B: Physics of Condensed Matter*,

*405*(24), 4978-4981. https://doi.org/10.1016/j.physb.2010.09.049