Ab initio calculations of band structure and thermophysical properties for SnS2 and SnSe2

2012 ◽  
Vol 407 (7) ◽  
pp. 1146-1152 ◽  
Author(s):  
Xiancong He ◽  
Honglie Shen
Keyword(s):  
Band Structure ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Thermophysical Properties

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.

scholarly journals Thermophysical Properties of the Novel 2D Materials Graphene and Silicene: Insights from Ab-initio Calculations

2014 ◽  
Vol 45 ◽  
pp. 512-517 ◽  
Author(s):  
Paola Gori ◽  
Olivia Pulci ◽  
Roberto de Lieto Vollaro ◽  
Claudia Guattari
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Thermophysical Properties ◽  
2D Materials ◽  
The Novel

Electronic band-structure and optical constants of Pb2GeS4: Ab initio calculations and X-ray spectroscopy experiments

2018 ◽  
Vol 29 (18) ◽  
pp. 16088-16100 ◽  
Author(s):  
Tuan V. Vu ◽  
A. A. Lavrentyev ◽  
B. V. Gabrelian ◽  
L. N. Ananchenko ◽  
O. V. Parasyuk ◽  
...  
Keyword(s):  
Band Structure ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Optical Constants ◽  
Electronic Band Structure ◽  
Electronic Band ◽  
X Ray
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