Static structure of liquid K-Sb alloys using the MAEAM potentials

DALGIÇ S., DÖMEKELİ Ü.

Journal of Optoelectronics and Advanced Materials, cilt.9, sa.6, ss.1705-1709, 2007 (SCI-Expanded, Scopus) identifier

  • Yayın Türü: Makale / Özet
  • Cilt numarası: 9 Sayı: 6
  • Basım Tarihi: 2007
  • Dergi Adı: Journal of Optoelectronics and Advanced Materials
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.1705-1709
  • Anahtar Kelimeler: Liquid K-Sb alloys, Modified analytic EAM potentials (MAEAM), Structure
  • Trakya Üniversitesi Adresli: Evet

Özet

The structure of K-Sb liquid alloys at different compositions of Sb have been obtained using the modified analytic EAM (MAEAM) based effective pair potentials in conjunction with the Variational Hypernetted Chain (VMHNC) liquid state theory. The effective pair potentials are constructed from the MAEAM potential functions which are parameterized with fitting to both solid and liquid state properties of pure metals. The partial pair correlation functions and total static structure factor in liquid KSb alloys are computed and than compared with experiments and the results of MD studies. The overall agreement has been found in reported works.