Thermodynamics and structure of simple liquid metals calculated using an analytic pair potential

Dalgiç S., DALGIÇ S., TOMAK M.

Turkish Journal of Physics, cilt.22, sa.1, ss.47-55, 1998 (Scopus, TRDizin) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 22 Sayı: 1
  • Basım Tarihi: 1998
  • Dergi Adı: Turkish Journal of Physics
  • Derginin Tarandığı İndeksler: Scopus, TR DİZİN (ULAKBİM)
  • Sayfa Sayıları: ss.47-55
  • Trakya Üniversitesi Adresli: Evet

Özet

The analytic interatomic pair potential for simple metals is derived from first principles using second order pseudopotential theory by Pettifor and Ward . It is developed using the Heine-Abarenkov pseudopotential for simple metals and applied to the calculations of the structural and thermodynamic properties of liquid metals. The corresponding liquid metal structure is calculated using the random phase approximation and the hypernetted-chain formulation. The long-wavelength limit S(0) of the structure factor of liquid metals using the hard-sphere system as reference is also investigated. The calculated thermodynamic and structural properties using the real space formalism are in better agreement with experimental results than the results of earlier calculations using the same approach.