Optical properties of anatase and rutile titanium dioxide: Ab initio calculations for pure and anion-doped material

2008 ◽  
Vol 69 (7) ◽  
pp. 1820-1828 ◽  
Author(s):  
Faruque M. Hossain ◽  
Leigh Sheppard ◽  
Janusz Nowotny ◽  
Graeme E. Murch
Keyword(s):  
Titanium Dioxide ◽  
Optical Properties ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Rutile Titanium Dioxide

Ab initio calculations of exchange interactions, Magnetic and optical properties of (Cu,TM)AlO2 (TM: Ti, V, Cr, Mn and Fe,): LDA and SIC approximation

Optik ◽  
2016 ◽  
Vol 127 (17) ◽  
pp. 6991-6996 ◽  
Author(s):  
Ayoub Laghrissi ◽  
El Mehdi Salmani ◽  
Mustapha Dehmani ◽  
Hamid Ez-Zahraouy ◽  
Abdelilah Benyoussef
Keyword(s):  
Optical Properties ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Exchange Interactions

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.

Structural, electronic, and optical properties and bond stiffness of ScAl3C3-type LaCd3P3 phases: ab initio calculations

2019 ◽  
Vol 134 ◽  
pp. 115-120 ◽  
Author(s):  
Shiquan Feng ◽  
Jianling Zhao ◽  
Yang Yang ◽  
Xuerui Cheng ◽  
Chaosheng Yuan ◽  
...  
Keyword(s):  
Optical Properties ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Electronic And Optical Properties

Ab initio calculations for electronic and optical properties of explosive silver azide

2013 ◽  
Vol 72 ◽  
pp. 101-106 ◽  
Author(s):  
Pradeep Jain ◽  
Jagrati Sahariya ◽  
H.S. Mund ◽  
M. Sharma ◽  
B.L. Ahuja
Keyword(s):  
Optical Properties ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Silver Azide ◽  
Electronic And Optical Properties

Ab-initio calculations of structural, electronic, and optical properties of Zn 3 (VO 4 ) 2

2018 ◽  
Vol 27 (3) ◽  
pp. 033101 ◽  
Author(s):  
Nisar Ahmed ◽  
S Mukhtar ◽  
Wei Gao ◽  
Syed Zafar Ilyas
Keyword(s):  
Optical Properties ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Electronic And Optical Properties
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