scholarly journals Structures And Bandgaps Of Small Range Gallium Arsenide Nanocluster

2014 ◽  
Vol 4 (2) ◽  
Author(s):  
Nor Muniroh Musa ◽  
Ahmad Radzi Mat Isa ◽  
Mohd Khalid Kasmin
Keyword(s):  
Gallium Arsenide ◽  
Quantum Dot ◽  
Structural Properties ◽  
First Principles ◽  
Cluster Size ◽  
First Principles Calculation ◽  
Small Range ◽  
Bulk Gaas ◽  
Energy Bandgap

There is currently a lot of excitement about Gallium Arsenide nanoclusters due in part to the prediction that smallenough GaxAsy clusters will act as “quantum dot” whose bandgaps can be tuned by varying the cluster size. Small range GaAs clusters ( x + y /10) were studied by using first principles calculation where structural properties and bandgap were investigated. We obtained the results of bandgap which are larger than the simulated bandgap of bulk GaAs. In this paper, we discuss the effect of GaAs cluster size to the energy bandgap.

First-principles calculation of electronic and structural properties ofYBa2Cu3O6+y

2010 ◽  
Vol 82 (19) ◽  
Author(s):  
Giorgia M. Lopez ◽  
Alessio Filippetti ◽  
Mauro Mantega ◽  
Vincenzo Fiorentini
Keyword(s):  
Structural Properties ◽  
First Principles ◽  
First Principles Calculation ◽  
Electronic And Structural Properties

scholarly journals The structural properties of LaRO3(R=Cr, Mn, Fe): a first-principles calculation

2017 ◽  
Vol 827 ◽  
pp. 012015 ◽  
Author(s):  
Y. R. Li ◽  
Z. T. Hou ◽  
T. X. Wang ◽  
Y. Li ◽  
H. Y. Liu ◽  
...  
Keyword(s):  
Structural Properties ◽  
First Principles ◽  
First Principles Calculation

FIRST PRINCIPLES CALCULATION OF THE PHONON SPECTRA OF SOLIDS

1981 ◽  
Vol 42 (C6) ◽  
pp. C6-625-C6-627 ◽  
Author(s):  
P. E. Van Camp ◽  
V. E. Van Doren ◽  
J. T. Devreese
Keyword(s):  
First Principles ◽  
First Principles Calculation ◽  
Phonon Spectra
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