Magnetoresistance in actinide and lanthanide intermetallics

Lattice disorder in strongly correlated lanthanide and actinide intermetallics.

Lanthanide and actinide intermetallic compounds display a wide range of correlated-electron behavior, including ferromagnetism, antiferromagnetism, nonmagnetic (Kondo) ground states, and so-called 'non-Fermi liquid' (NFL) behavior. The interaction between f electrons and the conduction band is a dominant factor in determining the ground state of a given system. However, lattice disorder can cre...

A fully relativistic Dirac–Hartree–Fock and second-order Mo” ller–Plesset study of the lanthanide and actinide contraction

Fully relativistic four-component self-consistent field and correlated calculations at the Mo”ller– Plesset second-order perturbation theory level ~MP2! have been performed for the monofluorides and monoand trihydrides of lanthanum, lutetium, actinium, and lawrencium. The calculated spectroscopic constants are in good agreement with available experimental data. The calculated bond lengths have ...

Structure and Thermodynamics of Lanthanide and Actinide Complexes in Solution

Several questions of importance in the study of lanthanide and actinide coordination compounds are reviewed. There is considerable evidence that in aqueous solution the primary coordination number is nine for the ions La(ni) through Nd(m) and eight for the ions heavier than Gd(m). While it seems that some degree of covalency exists in the metal—ligand bonding a model of electrostatic bonding se...

Structural properties of lanthanide and actinide compounds within the plane wave pseudopotential approach

We show that plane wave ultrasoft pseudopotential methods readily extend to the calculation of the structural properties of lanthanide and actinide containing compounds. This is demonstrated through a series of calculations performed on UO, UO2, UO3, U3O8, UC2, alpha-CeC2, CeB6, CeSe, CeO2, NdB6, TmOI, LaBi, LaTiO3, YbO, and elemental Lu.

Relativistic Configuration Interaction Calculations for Lanthanide and Actinide Anions