### 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 |
---|---|

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 |

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### Keywords

- Alkali metals
- Electrical transport
- t-matrix formalism

### ASJC Scopus subject areas

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

### Cite this

*Physica B: Physics of Condensed Matter*,

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

**Electron transport in liquid Na, K and Rb : T-matrix formalism revisited.** / Ben Abdellah, A.; Bouziane, K.; Grosdidier, B.; Mujibur Rahman, S. M.; Gasser, J. G.

Research output: Contribution to journal › Article

*Physica B: Physics of Condensed Matter*, vol. 405, no. 24, pp. 4978-4981. https://doi.org/10.1016/j.physb.2010.09.049

}

TY - JOUR

T1 - Electron transport in liquid Na, K and Rb

T2 - T-matrix formalism revisited

AU - Ben Abdellah, A.

AU - Bouziane, K.

AU - Grosdidier, B.

AU - Mujibur Rahman, S. M.

AU - Gasser, J. G.

PY - 2010/12/15

Y1 - 2010/12/15

N2 - 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 EB between the bottom of the free electrons density-of-states (DOS) and the muffin tin zero (VMTZ). 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 VMTZ 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 EF on the energy scale, the DOS for these metals fairly resemble those of free electrons yielding their effective valence Nc to be very close to the valence number Z but with a shift of the bottom of the band which cannot be neglected.

AB - 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 EB between the bottom of the free electrons density-of-states (DOS) and the muffin tin zero (VMTZ). 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 VMTZ 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 EF on the energy scale, the DOS for these metals fairly resemble those of free electrons yielding their effective valence Nc to be very close to the valence number Z but with a shift of the bottom of the band which cannot be neglected.

KW - Alkali metals

KW - Electrical transport

KW - t-matrix formalism

UR - http://www.scopus.com/inward/record.url?scp=78049438651&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=78049438651&partnerID=8YFLogxK

U2 - 10.1016/j.physb.2010.09.049

DO - 10.1016/j.physb.2010.09.049

M3 - Article

VL - 405

SP - 4978

EP - 4981

JO - Physica B: Condensed Matter

JF - Physica B: Condensed Matter

SN - 0921-4526

IS - 24

ER -