Spin-polarized band-structure calculations for Ni

1979 ◽  
Vol 20 (8) ◽  
pp. 3172-3185 ◽  
Author(s):  
J. R. Anderson ◽  
D. A. Papaconstantopoulos ◽  
L. L. Boyer ◽  
J. E. Schirber
Keyword(s):  
Band Structure ◽  
Band Structure Calculations ◽  
Spin Polarized ◽  
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.

Band Structure and Electronic Excitations in Cdl-xMnxTe

1986 ◽  
Vol 89 ◽  
Author(s):  
Su-Huai Wei ◽  
Alex Zunger
Keyword(s):  
Band Structure ◽  
Localized States ◽  
Electronic Excitations ◽  
Many Body ◽  
Band Structure Calculations ◽  
Spin Polarized ◽  
Semiconductor Alloy ◽  
Schematic Energy Level Diagram ◽  
The Many ◽  
Structure Calculations

AbstractWe have performed spin-polarized, self-consistent local spin density total energy and band structure calculations for the prototype semimagnetic semiconductor alloy Cd1-xMnxTe. Based on the calculated band structures and taking into account the many body effects of localized states, we propose a schematic energy level diagram to interpret the d→d*, p→d, and photoemission transitions in Cd1-xMnxTe.

scholarly journals Fermi surface of the skutterudite CoSb3 : Quantum oscillations and band-structure calculations

2021 ◽  
Vol 103 (8) ◽  
Author(s):  
M. Naumann ◽  
P. Mokhtari ◽  
Z. Medvecka ◽  
F. Arnold ◽  
M. Pillaca ◽  
...  
Keyword(s):  
Band Structure ◽  
Fermi Surface ◽  
Quantum Oscillations ◽  
Band Structure Calculations ◽  
Structure Calculations

Extrinsic photonic band structure calculations of a doped semiconductor under an external magnetic field

2008 ◽  
Vol 372 (31) ◽  
pp. 5224-5228 ◽  
Author(s):  
Renlong Zhou ◽  
Xuewen Wang ◽  
Bingju Zhou ◽  
Yongyi Gao ◽  
Xiaojuan Liu ◽  
...  
Keyword(s):  
Magnetic Field ◽  
External Magnetic Field ◽  
Band Structure ◽  
Photonic Band Structure ◽  
Band Structure Calculations ◽  
Photonic Band ◽  
Structure Calculations
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