Optical properties of Nb and Mo calculated from augmented-plane-wave band structures

1975 ◽  
Vol 11 (10) ◽  
pp. 3599-3603 ◽  
Author(s):  
Warren E. Pickett ◽  
Philip B. Allen
Keyword(s):  
Optical Properties ◽  
Plane Wave ◽  
Wave Band ◽  
Band Structures ◽  
Augmented Plane Wave

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.

OPTICAL PROPERTIES OF THE CUBIC AlxGa1-xN ALLOY

2013 ◽  
Vol 27 (17) ◽  
pp. 1350127
Author(s):  
S. HADJI ◽  
S. BERRAH ◽  
H. ABID
Keyword(s):  
Refractive Index ◽  
Optical Properties ◽  
Plane Wave ◽  
Absorption Coefficient ◽  
Local Density Approximation ◽  
Local Density ◽  
Full Potential ◽  
Density Approximation ◽  
Augmented Plane Wave ◽  
Coefficient Versus

In this paper, we present numerical calculations based on the full potential augmented plane wave (FP-LAPW) method within the local density approximation (LDA) to study the optical properties of the ternary alloy Al x Ga 1-x N . The shape of the dielectric function, the refractive index, and the absorption coefficient versus photon energy were presented. From the results, we deduce the possibility of this alloy to be used in the optoelectronic and photovololtaic area.

Linearized Augmented Plane Wave Band Structure Calculations and Dielectric Function of Layered TlGaSe2

2008 ◽  
Vol 47 (10) ◽  
pp. 8182-8187 ◽  
Author(s):  
Guseyn Orudzhev ◽  
YongGu Shim ◽  
Kazuki Wakita ◽  
Nazim Mamedov ◽  
Sevindzh Jafarova ◽  
...  
Keyword(s):  
Band Structure ◽  
Plane Wave ◽  
Dielectric Function ◽  
Wave Band ◽  
Augmented Plane Wave ◽  
Band Structure Calculations ◽  
Linearized Augmented Plane Wave ◽  
Structure Calculations

Full potential linear augmented plane wave calculations of Electronic and Optical properties in ZnO

2016 ◽  
pp. 3298-3311
Author(s):  
M. Benkraouda ◽  
N. Amrane
Keyword(s):  
Zinc Oxide ◽  
Optical Properties ◽  
Band Structure ◽  
Plane Wave ◽  
Density Functional ◽  
Dielectric Constants ◽  
Oxide Semiconductor ◽  
Full Potential ◽  
Augmented Plane Wave ◽  
Electronic And Optical Properties

          In this work we present self-consistent calculations for the electronic and optical properties of Zinc oxide. A theoretical investigation of the electronic properties (band structure, density of charge and contour map) and optical properties (refractive index, absorption coefficient, dielectric constants and reflectivity) of Zinc oxide semiconductor ZnO. A full-potential linearized augmented plane-wave (FPLAPW) method was used within the density functional theory (DFT) along with the generalized gradient approximation (GGA96) exchange correlation potential. The results are compared with the experimental data available and some other theoretical work. We found that the GGA approximation yields only a small improvement to the band gap, however, if we allow for a rigid shift of the band structure, the so-called scissor’s operator, the optical properties are excellently reproduced.

Sign in / Sign up

Export Citation Format

Share Document