The magnetic ground state and anisotropic property of UCoGa and UCoAl

✍ Scribed by Ying Xu; Zhi Zeng

• Book ID: 103890423
• Publisher: Elsevier Science
• Year: 2004
• Tongue: English
• Weight: 236 KB
• Volume: 408-410
• Category: Article
• ISSN: 0921-4534
• DOI: 10.1016/j.physc.2004.03.096

✦ Synopsis

The first-principles electronic structure calculations for the uranium intermetallic compounds UCoGa and UCoAl are performed by means of scalar-relativistic full-potential linear augmented plane wave (FP-LAPW) and fully relativistic FP-LAPW method taking into account of spin-orbit coupling. The itinerant ferromagnet of UCoGa is obtained, which is in accordance with the experiments. The hybridization of 5f-p and 5f-d as well as bonding properties of conductive electron bands are discussed by comparing the density of states and charge density of these two isoelectronic compounds.