First-principles calculation of the electronic structure of condensed spin-polarized excited triplet-state helium
Journal Article
·
· Physical Review, B: Condensed Matter
- Idaho National Engineering Laboratory, P.O. Box 1625, Idaho Falls, Idaho 83415-2208 (United States)
The excited triplet-state (1{ital s}2{ital s},{sup 3}{ital S}) helium atom (He{sup *}) is long-lived (2.5 h) in isolation. We have investigated the properties of a hypothetical condensed phase of spin-polarized He{sup *} on the bcc and fcc lattices using density-functional theory and the full-potential linear-augmented-plane-wave method. We found that each lattice provides over 1 eV of binding as a metallic {ital s}-{ital p} ferromagnet with a 1-eV indirect gap, and a 4-eV direct gap, between the occupied spin-up and the unoccupied spin-down bands. The surprising existence of such a gap suggests that condensed He{sup *} might also be metastable.
- Research Organization:
- Idaho National Engineering Lab
- DOE Contract Number:
- AC07-76ID01570; AC07-94ID13223
- OSTI ID:
- 90533
- Journal Information:
- Physical Review, B: Condensed Matter, Vol. 52, Issue 8; Other Information: PBD: 15 Aug 1995
- Country of Publication:
- United States
- Language:
- English
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