Abstract
Electronic band structure calculations were carried out for a new neptunium superconductor NpPd5Al2 using a relativistic linear-augmented plane wave method within a local density approximation. The Fermi energy in the band structure is found to be located just on the 5f-bands of the γb 5=2 state with the extremely narrow band width and therefore the theoretical electronic specific heat coefficient γb is extremely large, being γb = 74:0 mJ/(K2·mol), which is compared to γ = 390 mJ/(K 2·mol) estimated experimentally. NpPd5Al 2 is an uncompensated metal. The main electron Fermi surface corresponds to a doughnut-like flat Fermi surface centered at the Γ point which is connected with cylindrical Fermi surfaces elongated along the X-W-P line.
Original language | English |
---|---|
Article number | 083708 |
Journal | journal of the physical society of japan |
Volume | 76 |
Issue number | 8 |
DOIs | |
Publication status | Published - 2007 Aug 1 |
Keywords
- Band structure
- Fermi surface
- NpPdAl
ASJC Scopus subject areas
- Physics and Astronomy(all)