Calculation of elastic constants in UC, US, and UTe
- 15 July 1995
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 52 (4) , 2496-2503
- https://doi.org/10.1103/physrevb.52.2496
Abstract
The calculated electronic structure and charge density of UC and US are reported. We also report calculations on the elastic constants of the cubic compounds UC, US, and UTe using the local-spin-density approximation (LSDA) to the exchange and correlation potential. Good agreement between calculations and experiment has been obtained for UC and US suggesting that the chemical bonding is well reproduced by LSDA for these two compounds. In contrast, for UTe the calculations do not reproduce the measured negative Poissons ratio (negative ). We suggest that the failure to describe the elasticity of UTe reflects the weakness of LSDA in describing accurately electron systems that are strongly correlated and we speculate that UTe is an anomalous, possibly mixed valent, system.
This publication has 41 references indexed in Scilit:
- Fermi surface and cyclotron mass in UCPhysica B: Condensed Matter, 1990
- Magnetoresistance and de Haas-van Alphen Effect in UCJournal of the Physics Society Japan, 1990
- Fermi Surface of ThC and UCJournal of the Physics Society Japan, 1990
- Bulk moduli and high-pressure phases of the uranium rocksalt structure compounds-I. The monochalcogenidesHigh Pressure Research, 1989
- Phonon measurements in uranium monosulphideJournal of Physics C: Solid State Physics, 1985
- Electronic structure of NaCl-type compounds of the light actinides. I. UN, UC, and UOJournal of Physics F: Metal Physics, 1984
- Electronic structure of NaCl-type compounds of the light actinides. II. Uranium monochalcogenides and monopnictidesJournal of Physics F: Metal Physics, 1984
- Magnetic excitations and lattice vibrations in uranium rock-salt structure compoundsJournal of Applied Physics, 1982
- Magnetic structure of UN under pressurePhysica B+C, 1980
- Elastic properties of uranium mononitride at 298 KJournal of Nuclear Materials, 1972