메뉴 건너뛰기




Volumn 68, Issue 8, 1999, Pages 2692-2696

Theoretical study of geometries and electronic structures of solid oxygen under high pressures

Author keywords

Density functional theory; Local density approximation; Metal insulator transition; Molecular dissociation; Mott transition; Scissors method; Solid oxygen; Spin polarization

Indexed keywords


EID: 0033464451     PISSN: 00319015     EISSN: None     Source Type: Journal    
DOI: 10.1143/JPSJ.68.2692     Document Type: Article
Times cited : (13)

References (24)
  • 6
    • 85034139037 scopus 로고    scopus 로고
    • note
    • In general, since the energy gap between the highest occupied molecular orbital and the lowest unoccupied molecular orbital of a light molecule is larger than those for isoclectronic heavier molecules, the band gap for the corresponding light molecular crystal is larger than those for the corresponding isoelectronic heavier molecular crystals. The metallization pressure for the light molecular crystal is thus expected to be larger than those for the heavier molecular crystals. Accordingly, the metallization pressure for solid fluorine is thereby expected to be over 200 GPa because even the metallization pressure expected for solid chlorine, a heavier one, is already ∼160 GPa.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.