EFFECT OF SPIN-ORBIT COUPLING ON THE ENERGY LEVELS IN THE 6d BAND FOR ACTINIDE METALS

Journal Article · Sun Nov 15 04:00:00 EST 1959 · Physical Review (U.S.) Superseded in part by Phys. Rev. A, Phys. Rev. B: Solid State, Phys. Rev. C, and Phys. Rev. D

DOI:https://doi.org/10.1103/PhysRev.116.846· OSTI ID:4172723

Lehman, G W

The importance of spin-orbit coupling in modifying the energy levels in the 6d band for the actinide metals is discussed. The energy matrix, H/sub 0/, used in this paper, neglecting spin-orbit effects, is derived from Kohn' s variational principle by expanding the wave function in terms of the five atomic d orbitals having cubic symmetry. A single disposable parameter, E/ sub d/, occurs in this model such that 2E/sub d/ is the width of the d band. The spin-orbit energy matrix, H/sub so/, contains the spin-orbit splitting parameter, E/sub so/, which is equal to the d3/2 - d5/2 level separation. The complete 10 x 10 energy matrix was diagonalized analytically along a fourfold symmetry axis and numerically at 150 points in the Brillouin zone for the case E/sub so/E/sub d/ = 0.2 appropriate to face-centered cubic thorium with E/sub so/ = 0.4 ev and E/sub d/= 2 ev. Plots of the energy variation along the two, three, and fourfold axes in the Brillouin zone are presented. Calculations based upon this model are also presented which show that the usual Pauli spin paramagnetism of the conduction electrons can be modified quite significantly by spin-orbit coupling. (auth)

• Research Organization: Atomics International, Div., North American Aviation, Inc., Canoga Park, Calif.
• NSA Number: NSA-14-007951
• OSTI ID: 4172723
• Journal Information: Physical Review (U.S.) Superseded in part by Phys. Rev. A, Phys. Rev. B: Solid State, Phys. Rev. C, and Phys. Rev. D, Journal Name: Physical Review (U.S.) Superseded in part by Phys. Rev. A, Phys. Rev. B: Solid State, Phys. Rev. C, and Phys. Rev. D Vol. Vol: 116; ISSN PHRVA
• Country of Publication: Country unknown/Code not available
• Language: English

Related Subjects

ACTINIDES
ATOMS
CONFIGURATION
DIAGRAMS
DIFFERENTIAL EQUATIONS
ELECTRIC CONDUCTIVITY
ELECTRONS
ENERGY
ENERGY LEVELS
HAMILTONIAN
INTERACTIONS
MAGNETISM
MATRICES
METALS
NUMERICALS
ORBITS
PARAMAGNETISM
PHYSICS
QUANTUM MECHANICS
SPECTRAL SHIFT
SPIN
THORIUM
VARIATIONS