Mixed approach of linear-combination-of-atomic-orbitals and orthogonalized-plane-wave methods to the band-structure calculation of alkali-halide crystals

1976 ◽  
Vol 14 (6) ◽  
pp. 2613-2624 ◽  
Author(s):  
S. M. Mujibur Rahman ◽  
A. M. Harun Ar Rashid ◽  
S. M. M. R. Chowdhury
Keyword(s):  
Band Structure ◽  
Plane Wave ◽  
Linear Combination ◽  
Alkali Halide ◽  
Structure Calculation ◽  
Band Structure Calculation ◽  
Atomic Orbitals ◽  
Mixed Approach ◽  
Wave Methods ◽  
Alkali Halide Crystals

Open orbits in ReO3

1979 ◽  
Vol 57 (6) ◽  
pp. 860-863 ◽  
Author(s):  
F. S. Razavi ◽  
W. R. Datars
Keyword(s):  
Magnetic Field ◽  
Plane Wave ◽  
Relative Number ◽  
Structure Calculation ◽  
Band Structure Calculation ◽  
Wave Band ◽  
Field Range ◽  
Augmented Plane Wave ◽  
Magnetic Field Range ◽  
The Third

Open orbits in the metal oxide ReO3 were studied by the induced torque method at a temperature of 1.4 K with magnetic fields up to 5.5 T.[Formula: see text], [Formula: see text], [Formula: see text], [Formula: see text], [Formula: see text], and [Formula: see text] open orbits were detected. The results show that the third-band Fermi surface of ReO3 is connected along [Formula: see text] directions as predicted by Mattheiss' augmented-plane-wave band structure calculation. The angular magnetic field range for observation of open orbits and the relative number of primary and secondary open orbits are given.

Band structure calculation of GeSn and SiSn

1995 ◽  
Vol 36 (5) ◽  
pp. 843-848 ◽  
Author(s):  
Na. Amrane ◽  
S. Ait Abderrahmane ◽  
H. Aourag
Keyword(s):  
Band Structure ◽  
Structure Calculation ◽  
Band Structure Calculation
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