Structural and electronic properties of magnesium diboride
INTERNATIONAL JOURNAL OF MODERN PHYSICS C, cilt.14, sa.4, ss.483-489, 2003 (SCI-Expanded, Scopus)
- 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.