Phonon band structure of porous Ge from ab initio supercell calculation

2012 ◽  
Vol 90 ◽  
pp. 141-144 ◽  
Author(s):  
A. Trejo ◽  
J.L. Cuevas ◽  
R. Vázquez-Medina ◽  
M. Cruz-Irisson
Keyword(s):  
Band Structure ◽  
Ab Initio ◽  
Phonon Band ◽  
Supercell Calculation

All-out band structure and band offset ab initio predictions for AlN/GaN and AlP/GaP interfaces

2013 ◽  
Vol 114 (3) ◽  
pp. 033709 ◽  
Author(s):  
O. P. Silva Filho ◽  
M. Ribeiro ◽  
R. R. Pelá ◽  
L. K. Teles ◽  
L. G. Ferreira ◽  
...  
Keyword(s):  
Band Structure ◽  
Ab Initio ◽  
Band Offset

AB INITIO CALCULATIONS OF THE MAGNETO-OPTICAL RESPONSE OF LAYERED SYSTEMS

2002 ◽  
Vol 09 (02) ◽  
pp. 1135-1142
Author(s):  
HUBERT EBERT ◽  
ALEXANDER PERLOV ◽  
TILMANN HUHNE
Keyword(s):  
Optical Properties ◽  
Band Structure ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Optical Conductivity ◽  
Atomic Layer ◽  
Magnetic Multilayer ◽  
Layered Systems ◽  
Layer System ◽  
Multilayer Systems

The concept of the layer-resolved optical conductivity [Formula: see text] applied by means of a conventional band structure method is introduced. It is demonstrated that it allows a detailed discussion of the magneto-optical properties of magnetic multilayer systems. In particular it is found that the layer-projected optical conductivity [Formula: see text] of an atomic layer is influenced by only very few neighboring layers. This property can be exploited within the Baukasten principle, which aims to predict the magneto-optical properties of a complex layer system from the properties calculated for a closely related but simpler one.

Ab initio structural and electronic band-structure study of MgSe

2015 ◽  
Vol 252 (4) ◽  
pp. 663-669 ◽  
Author(s):  
Hannan Elsayed ◽  
Daniel Olguín ◽  
Andrés Cantarero ◽  
Isaac Hernández-Calderón
Keyword(s):  
Band Structure ◽  
Ab Initio ◽  
Electronic Band Structure ◽  
Structure Study ◽  
Electronic Band
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