Linear Muffin-Tin Orbital Method in the Atomic Sphere Approximation

2010 ◽  
pp. 35-46
Author(s):  
John M. Wills ◽  
Mebarek Alouani ◽  
Per Andersson ◽  
Anna Delin ◽  
Olle Eriksson ◽  
...  
Keyword(s):  
Orbital Method ◽  
Atomic Sphere ◽  
Sphere Approximation ◽  
Atomic Sphere Approximation ◽  
Linear Muffin Tin Orbital

Electronic Structure of Epitaxial Silicon Interfaces

1990 ◽  
Vol 193 ◽  
Author(s):  
Hideaki Fujitani ◽  
Setsuro Asano
Keyword(s):  
Electronic Structure ◽  
Schottky Barrier ◽  
Barrier Height ◽  
Atomic Structure ◽  
Schottky Barrier Height ◽  
Orbital Method ◽  
Epitaxial Silicon ◽  
Atomic Sphere ◽  
Sphere Approximation ◽  
Atomic Sphere Approximation

ABSTRACTUsing the linear muffin-tin orbital method in the atomic sphere approximation (LMTO-ASA), we studied the electronic structure of the Si(111) interface for four different materials: CaF2, NiSi2, CoSi2, and YSi2. We examined how the interface states and Schottky barrier height depend on the interface atomic structure.

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