Journal
JOURNAL OF PHYSICS-CONDENSED MATTER
Volume 14, Issue 8, Pages 1865-1879Publisher
IOP PUBLISHING LTD
DOI: 10.1088/0953-8984/14/8/314
Keywords
-
Categories
Ask authors/readers for more resources
We demonstrate that a special hybridization between the Al(s, p) and V(d) orbitals which is responsible for forming of a deep pseudogap near the Fermi level in the Al3V compound is also associated with the formation of covalent bonds. We analyse the charge distribution in the elementary cell and find an enhanced charge density along the AI-V bonds and certain Al-Al bonds which is characteristic for covalent bonding. The role of the point-group symmetry and the character of the hybrid orbitals forming the covalent bonds are investigated. It is demonstrated that the deep pseudogap close to the Fermi level arises from the bonding-antibonding of the hybrid orbitals.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available