The pressure-induced insulator-metal transition of solid oxygen - band-structure calculations

Authors
Otani, M Yamaguchi, K Miyagi, H Suzuki, N
Citation
M. Otani et al., The pressure-induced insulator-metal transition of solid oxygen - band-structure calculations, J PHYS-COND, 10(49), 1998, pp. 11603-11606
Citations number
10
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
JOURNAL OF PHYSICS-CONDENSED MATTER
ISSN journal
09538984 → ACNP
Volume
10
Issue
49
Year of publication
1998
Pages
11603 - 11606
Database
ISI
SICI code
0953-8984(199812)10:49<11603:TPITOS>2.0.ZU;2-N
Abstract
The pressure-induced insulator-metal transition in molecular solid oxygen i s investigated by calculating the electronic band structures as a function of volume. At large volumes (low pressures) an insulating antiferromagnetic state is the most stable. On decreasing the volume (increasing the pressur e) an antiferromagnetic metallic state is realized by band overlapping and finally a paramagnetic metallic state becomes the most stable.