Liquid structure of some rare-earth metals using an analytic pair potential

DALGIÇ S., DALGIÇ S., ŞENGÜL S., ÇELTEK M., TEZGÖR G.

Journal of Optoelectronics and Advanced Materials, cilt.3, sa.4, ss.831-840, 2001 (SCI-Expanded, Scopus) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 3 Sayı: 4
  • Basım Tarihi: 2001
  • Dergi Adı: Journal of Optoelectronics and Advanced Materials
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.831-840
  • Anahtar Kelimeler: Effective pair potentials, Liquid structure, Rare-earth metals
  • Trakya Üniversitesi Adresli: Evet

Özet

The analytical Pettifor-Ward (PW) pair potential with the Ashcroft empty core model for the pseudopotential is employed to obtain structural properties of some liquid rare-earth metals. The liquid structure is calculated using the variational modified hypernetted chain (VMHNC) approximation. Recently proposed the modified Harrison model potential (MH) of Karmakar and Joarder has been calculated using the PW pair potentials for s electron contribution for comparison. A good agreement with the experimental data for structural properties has been found. However, VMHNC calculations using MH potential fail to yield reasonable results if one used Karmakar's data set.