Electronic structure of Pu-rich Pu/sub x/Al/sub 1-x/ alloys

Journal Article · Fri Feb 15 04:00:00 EST 1985 · Phys. Rev. B: Condens. Matter; (United States)

DOI:https://doi.org/10.1103/PhysRevB.31.1971· OSTI ID:6109306

Weinberger, P; Gonis, A; Freeman, A J; Boring, A M

The relativistic Korringa-Kohn-Rostoker coherent-potential-approximation method has been used to calculate the band structure of the Pu/sub 0.90/Al/sub 0.10/ alloy, in the first application of this method to alloys containing f electrons. Partial densities of states associated with Pu and Al and various angular momentum states, as well as Bloch spectral densities as functions of energy and wave vector, have been computed. From these results a value for the low-temperature coefficient of the specific heat, ..gamma.., has been calculated and compared to experimental results. The discrepancy between the experimental and calculated values of ..gamma.. is attributed to the neglect of enhancement effects such as the electron-phonon interaction and spin fluctuations.

• Research Organization: Institute fuer Technische Elektrochemie, Technische Universitat Wien, A-1040 Wien, Austria
• OSTI ID: 6109306
• Journal Information: Phys. Rev. B: Condens. Matter; (United States), Journal Name: Phys. Rev. B: Condens. Matter; (United States) Vol. 31:4; ISSN PRBMD
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360104* -- Metals & Alloys-- Physical Properties
ACTINIDE ALLOYS
ALLOYS
ALUMINIUM ALLOYS
BAND THEORY
BLOCH THEORY
ELECTRON-PHONON COUPLING
ELECTRONIC STRUCTURE
ENERGY LEVELS
ENERGY RANGE
ENERGY-LEVEL DENSITY
F STATES
FUNCTIONS
MUFFIN-TIN POTENTIAL
NUMERICAL SOLUTION
PHYSICAL PROPERTIES
PLUTONIUM ALLOYS
POTENTIALS
RELATIVISTIC RANGE
SPECIFIC HEAT
SPECTRAL FUNCTIONS
THERMODYNAMIC PROPERTIES