Comparison of optical reflectivity measurements, electron spectroscopy, and band-structure calculations of binary transition-metal alloys

1985 ◽  
Vol 31 (12) ◽  
pp. 7734-7738 ◽  
Author(s):  
R. Lapka ◽  
P. Oelhafen ◽  
U. M. Gubler ◽  
H.-J. Güntherodt
Keyword(s):  
Transition Metal ◽  
Band Structure ◽  
Electron Spectroscopy ◽  
Metal Alloys ◽  
Optical Reflectivity ◽  
Transition Metal Alloys ◽  
Band Structure Calculations ◽  
Structure Calculations

Band theory of insulating transition-metal monoxides: Band-structure calculations

1984 ◽  
Vol 30 (8) ◽  
pp. 4734-4747 ◽  
Author(s):  
K. Terakura ◽  
T. Oguchi ◽  
A. R. Williams ◽  
J. Kübler
Keyword(s):  
Transition Metal ◽  
Band Structure ◽  
Band Theory ◽  
Band Structure Calculations ◽  
Structure Calculations

Magnetism in 4d Transition Metal–Ag(001) Sandwiches

1991 ◽  
Vol 231 ◽  
Author(s):  
Dennis P. Clougherty ◽  
M. E. Mchenry ◽  
J. M. Maclaren
Keyword(s):  
Transition Metal ◽  
Band Structure ◽  
Ground State ◽  
Fermi Energy ◽  
Band Structure Calculations ◽  
Spin Polarized ◽  
Densities Of States ◽  
Ferromagnetic Ground State ◽  
Sandwich Configuration ◽  
Structure Calculations

AbstractUsing ab-initio spin-polarized layer Korringa-Kohn-Rostoker (LKKR) band structure calculations, we investigated the possibility of having a stable ferromagnetic ground state in 4d transition metal (TM)–Ag(001) sandwiches (TM = Tc, Ru, Rh, and Pd). In contrast to recent calculations performed on systems with TM overlayers on Ag (001), we find that the TM sandwich configuration gives a paramagnetic ground state. While excellent agreement in general is obtained for the layer-projected densities of states (LDOS), the sandwich configuration lowers the densities of states at the Fermi energy (EF) in the case of Rh and Ru by a small amount which seemingly prevents the marginal ferromagnetic instability predicted by Eriksson et. al. (Phys. Rev. Lett. 66, 1350 (1991)) from occurring.

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