STRUCTURAL STABILITY AND ENERGETICS OF SI4 ISOMERS - TOTAL ELECTRONIC-ENERGY CALCULATION

KATIRCIOGLU S., ERKOC S.

CHEMICAL PHYSICS LETTERS, cilt.184, ss.118-120, 1991 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 184
  • Basım Tarihi: 1991
  • Doi Numarası: 10.1016/0009-2614(91)87174-a
  • Dergi Adı: CHEMICAL PHYSICS LETTERS
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.118-120
  • Orta Doğu Teknik Üniversitesi Adresli: Evet

Özet

The structural stability and energetics of Si4 isomers have been investigated by using an empirical tight-binding (ETB) method. It has been found that the most stable Si4 microcluster is an exact tetrahedron with T(d) symmetry.