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.

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.

Cluster model and band structure calculations ofV2O5: ReducedV5+symmetry and many-body effects

2008 ◽  
Vol 77 (7) ◽  
Author(s):  
R. J. O. Mossanek ◽  
A. Mocellin ◽  
M. Abbate ◽  
B. G. Searle ◽  
P. T. Fonseca ◽  
...  
Keyword(s):  
Band Structure ◽  
Cluster Model ◽  
Many Body ◽  
Band Structure Calculations ◽  
Many Body Effects ◽  
Structure Calculations

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

Electronic structure near the band gap of heavily nitrogen doped GaAs and GaP

2001 ◽  
Vol 692 ◽  
Author(s):  
Yong Zhang ◽  
B. Fluegel ◽  
M. Hanna ◽  
A. Duda ◽  
A. Mascarenhas
Keyword(s):  
Band Structure ◽  
Band Gap ◽  
Doping Level ◽  
Bound States ◽  
Nitrogen Doping ◽  
Localized States ◽  
Nitrogen Doped ◽  
Band Structure Calculations ◽  
Level 3 ◽  
Structure Calculations

AbstractIsoelectronic impurity nitrogen atoms have been found to generate a series of localized states in GaP and GaAs. These states can be either bound (within the band gap) or resonant (above the band gap) when in the dilute doping limit (roughly < 1019 cm−3 for GaP and < 1018 cm−3 for GaAs). With increasing nitrogen doping level, a shift of the absorption edge from the binary band gap has been observed for the so-called GaPN or GaAsN alloy. We discuss the similarity and dissimilarity between the two systems in the following aspects: (1) How does the nitrogen doping perturb the host band structure? (2) How do the nitrogen bound states evolve with increasing nitrogen doping level? (3) What are the dominant contributors to the band edge absorption? And (4) does a universal model exist for GaPN and GaAsN? Other issues that will be discussed are: how does one define the band gap for these materials, and what is the relevance of various theoretical band structure calculations to the experimentally measured parameters.

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
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