Relativistic spin-polarized electronic structure of Ce and Pu

1986 ◽  
Vol 34 (2) ◽  
pp. 713-722 ◽  
Author(s):  
G. Schadler ◽  
P. Weinberger ◽  
A. M. Boring ◽  
R. C. Albers
Keyword(s):  
Electronic Structure ◽  
Relativistic Spin ◽  
Spin Polarized

Implications and Applications of Relativistic Spin-Polarized Multiple Scattering

1991 ◽  
Vol 253 ◽  
Author(s):  
G. Hörmandinger ◽  
P. Weinberger
Keyword(s):  
Electronic Structure ◽  
Multiple Scattering ◽  
Function Method ◽  
Electronic Structure Calculations ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Relativistic Spin ◽  
Spin Polarized ◽  
Structure Calculations

ABSTRACTThe consideration of spin-orbit coupling in spin-polarized electronic structure calculations leads to magnetic anisotropies and reduces the symmetry of the problem. The theory of magnetic groups is required to make full use of the remaining symmetry, which in turn then is applied to the Green's function method.

Magnetic Properties of Embedded Rh Clusters in Ni Matrix

1995 ◽  
Vol 384 ◽  
Author(s):  
Zhi-Qiang Li ◽  
Yuichi Hashi ◽  
Jing-Zhi Yu ◽  
Kaoru Ohno ◽  
Yoshiyuki Kawazoe
Keyword(s):  
Magnetic Properties ◽  
Electronic Structure ◽  
First Principles ◽  
Density Functional ◽  
Local Density ◽  
Magnetic Moments ◽  
Functional Formalism ◽  
Rhodium Clusters ◽  
Spin Polarized ◽  
Local Density Functional

ABSTRACTThe electronic structure and magnetic properties of rhodium clusters with sizes of 1 - 43 atoms embedded in the nickel host are studied by the first-principles spin-polarized calculations within the local density functional formalism. Single Rh atom in Ni matrix is found to have magnetic moment of 0.45μB. Rh13 and Rhl 9 clusters in Ni matrix have lower magnetic moments compared with the free ones. The most interesting finding is tha.t Rh43 cluster, which is bulk-like nonmagnetic in vacuum, becomes ferromagnetic when embedded in the nickel host.

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