Electronic Structure in Semiconductor Nanocrystals

2003 ◽  
Author(s):  
David Norris
Keyword(s):  
Electronic Structure ◽  
Semiconductor Nanocrystals

ELECTRONIC STRUCTURE OF SEMICONDUCTOR NANOCRYSTALS: AN ACCURATE TIGHT-BINDING DESCRIPTION

2005 ◽  
Vol 04 (05n06) ◽  
pp. 893-899
Author(s):  
SAMEER SAPRA ◽  
RANJANI VISWANATHA ◽  
D. D. SARMA
Keyword(s):  
Electronic Structure ◽  
Excellent Agreement ◽  
Nearest Neighbor ◽  
Semiconductor Nanocrystals ◽  
Tight Binding ◽  
Experimental Results ◽  
Accurate Description ◽  
Orbital Basis ◽  
Theoretical Predictions

We report a quantitatively accurate description of the electronic structure of semiconductor nanocrystals using the sp3d5 orbital basis with the nearest neighbor and the next nearest neighbor interactions. The use of this model for II–VI and III–V semiconductors is reviewed in article. The excellent agreement of the theoretical predictions with the experimental results establishes the feasibility of using this model for semiconductor nanocrystals.

Study of Surface and Bulk Electronic Structure of II–VI Semiconductor Nanocrystals Using Cu as a Nanosensor

ACS Nano ◽  
2012 ◽  
Vol 6 (11) ◽  
pp. 9751-9763 ◽  
Author(s):  
G. Krishnamurthy Grandhi ◽  
Renu Tomar ◽  
Ranjani Viswanatha
Keyword(s):  
Electronic Structure ◽  
Semiconductor Nanocrystals

Surface States in Passivated, Unpassivated and Core/Shell Nanocrystals: Electronic Structure and Optical Properties

2003 ◽  
Vol 789 ◽  
Author(s):  
Garnett W. Bryant ◽  
W. Jaskolski
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Semiconductor Nanocrystals ◽  
Tight Binding ◽  
Surface States ◽  
Surface Effects ◽  
Atomic Scale ◽  
Core Shell ◽  
Binding Theory ◽  
Theoretical Understanding

ABSTRACTSurface effects significantly influence the functionality of semiconductor nanocrystals. A theoretical understanding of these surface effects requires models capable of describing surface details at an atomic scale, passivation with molecular ligands, and few-monolayer capping shells. We present an atomistic tight-binding theory of the electronic structure and optical properties of passivated, unpassivated and core/shell nanocrystals to study these surface effects.

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