Title :
Ab initio calculation of crystal field parameters in several RT5 (R=rare earth; T=Co, Ni) compounds
Author :
Novak, Petr ; Kuriplach, Jan
Author_Institution :
Inst. of Phys., Acad. of Sci., Prague, Czechoslovakia
fDate :
3/1/1994 12:00:00 AM
Abstract :
Electronic structure of RNi5 (R=Nd, Sm, Eu, Gd) and SmCo5 compounds is calculated using the FLAPW method. The parameters of the effective crystal field Hamiltonian acting on 4f states of the rare-earth atom are then determined from time nonspherical part of the crystal potential
Keywords :
APW calculations; ab initio calculations; cobalt alloys; crystal field interactions; europium alloys; gadolinium alloys; neodymium alloys; nickel alloys; samarium alloys; EuNi5; FLAPW method; GdNi5; NdNi5; SmCo5; SmNi5; ab initio calculation; crystal field parameters; electronic structure; Anisotropic magnetoresistance; Crystallization; Earth; Electrons; Geoscience; Intermetallic; Magnetic anisotropy; Mathematics; Paramagnetic materials; Physics;
Journal_Title :
Magnetics, IEEE Transactions on
