First-principles study of intrinsic point defects in ZnO: Role of band structure, volume relaxation, and finite-size effects

2006 ◽  
Vol 73 (20) ◽  
Author(s):  
Paul Erhart ◽  
Karsten Albe ◽  
Andreas Klein
Keyword(s):  
Band Structure ◽  
Point Defects ◽  
First Principles ◽  
Size Effects ◽  
Finite Size ◽  
Volume Relaxation ◽  
Finite Size Effects ◽  
Intrinsic Point Defects ◽  
First Principles Study

scholarly journals Lattice induced crystallization of nanodroplets: the role of finite-size effects and substrate properties in controlling polymorphism

Nanoscale ◽  
2018 ◽  
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pp. 4921-4926 ◽  
Author(s):  
Julien Lam ◽  
James F. Lutsko
Keyword(s):  
Molecular Dynamics ◽  
Size Effects ◽  
Finite Size ◽  
Solid Substrate ◽  
General Phenomenon ◽  
Finite Size Effects ◽  
Substrate Properties ◽  
Dynamics Simulations ◽  
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Freezing a nanodroplet deposited on a solid substrate leads to the formation of crystalline structures. We study the inherent mechanisms underlying this general phenomenon by means of molecular dynamics simulations.

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2015 ◽  
Vol 110 (6) ◽  
pp. 66001 ◽  
Author(s):  
D. Torres ◽  
M. A. Di Muro ◽  
C. E. La Rocca ◽  
L. A. Braunstein
Keyword(s):  
Size Effects ◽  
Finite Size ◽  
Finite Size Effects ◽  
Scale Free ◽  
Scale Free Networks
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