Electronic structure of NaCl-type compounds of the light actinides. II. Uranium monochalcogenides and monopnictides
- 1 March 1984
- journal article
- Published by IOP Publishing in Journal of Physics F: Metal Physics
- Vol. 14 (3) , 653-661
- https://doi.org/10.1088/0305-4608/14/3/010
Abstract
For pt.I see ibid., vol.14, no.3, p.639 (1984). The principal trends in the calculated paramagnetic ground-state charge densities, lattice parameters and bulk moduli of the uranium chalcogenides and pnictides are analysed in an approximation that neglects spin-orbit coupling. The increase in the size of the anion across a pnictide or chalcogenide series is responsible for a regular increase in the lattice parameter and a corresponding decrease in the bulk modulus. The decrease in the fractional volume occupied by the uranium atom leads to a narrowing of the uranium d-f band structure and a concomitant increase in the density of states at the Fermi level.Keywords
This publication has 20 references indexed in Scilit:
- Electronic structure of NaCl-type compounds of the light actinides. I. UN, UC, and UOJournal of Physics F: Metal Physics, 1984
- On the cohesive energy and charge density of uranium dioxideSolid State Communications, 1983
- Some aspects of the electronic structure of uranium pnictides and chalcogenidesPhysica B+C, 1980
- Electronic structure of transition metal compounds; ground-state properties of the 3d-monoxides in the atomic sphere approximationPure and Applied Chemistry, 1980
- Relativistic energy bands of NaCl structure uranium compoundsJournal of Magnetism and Magnetic Materials, 1980
- Electron spin polarization in uranium sulfideSolid State Communications, 1979
- Electronic structure of uranium selenide: Experiment and theoryJournal of Applied Physics, 1979
- Electronic and Spin Structure of UTePhysical Review Letters, 1979
- Electronic structure of Chevrel-phase high-critical-field superconductorsPhysical Review B, 1978
- Linear methods in band theoryPhysical Review B, 1975