## ملخص

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.

اللغة الأصلية | English |
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الصفحات (من إلى) | 4978-4981 |

عدد الصفحات | 4 |

دورية | Physica B: Condensed Matter |

مستوى الصوت | 405 |

رقم الإصدار | 24 |

المعرِّفات الرقمية للأشياء | |

حالة النشر | Published - ديسمبر 15 2010 |

## ASJC Scopus subject areas

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