Structural and electronic properties of magnesium diboride

Erkoc S.

INTERNATIONAL JOURNAL OF MODERN PHYSICS C, cilt.14, sa.4, ss.483-489, 2003 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 14 Sayı: 4
  • Basım Tarihi: 2003
  • Doi Numarası: 10.1142/s012918310300467x
  • Dergi Adı: INTERNATIONAL JOURNAL OF MODERN PHYSICS C
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.483-489
  • Orta Doğu Teknik Üniversitesi Adresli: Hayır

Özet

Structural, electronic, and vibrational properties of magnesium diboride have been investigated by performing ab initio calculation within DFT level considering full MP2 correlation correction through B3LYP exchange-correlation functional. The structural, electronic, and vibrational properties of MgB(2) triatom have been calculated in its ground state.