Il Nuovo Cimento D

, Volume 1, Issue 6, pp 789–801 | Cite as

The pseudopotential of heavy alkali metals: Nonlocality and d-level effects on the structure stability

  • F. Bonsignori
  • A. Magnaterra
Article
  • 18 Downloads

Summary

The pseudopotential and energy-wavenumber characteristic for the heavy alkali metals are calculated, by using a full nonlocal treatment of the Heine-Animalu-Abarenkov model potential; the s-d hybridization is also taken into account in Harrison’s scheme for transition metals. Results are used to calculate the total energy; the b.c.c. structure is found to have the lowest energy.

Keywords

Model Potential Dielectric Function Tufa Conduction State Simple Metal 

Riassunto

Si calcolano lo pseudopotenziale e la funzione caratteristica energia-numero d’onda per i metalli alcalini pesanti, tramite una trattazione completamente non locale del potenziale modello di Heine-Animalu-Abarenkov; si tiene conto anche dell’ibridizzazione s-d nello schema di Harrison per i metalli di transizione. I risultati sono utilizazati per calcolare l’energia totale; si trova che l’energia minima compete alla struttura b.c.c.

Резюме

Вычисяются псевдопотенциал и характеристицеские функции энергии и волнобго числа для тяжелых шелочных металлов, исполБзуя поностБю нелокалБное рассмотрение для моделБного потенциала Хайна-Анималу-Абаренкова. Учитывается s-d гибридизация в схеме Харрисона для переходных меаллов. Полупенные рызулитаты исполщзуются для вычисления полной энергии; получено, что минималщная полная энергия соответствует структуре b.c.c.

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Copyright information

© Società Italiana di Fisica 1982

Authors and Affiliations

  • F. Bonsignori
    • 1
    • 2
  • A. Magnaterra
    • 3
    • 4
  1. 1.Istituto di Fisica dell’UniversitàBolognaItalia
  2. 2.Unità di BolognaGruppo Nazionale di Struttura della MateriaItalia
  3. 3.Istituto di Fisica dell’UniversitàFerraraItalia
  4. 4.Unità di FerraraGruppo Nazionale di Struttura della MateriaItalia

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