A Monte Carlo Transport Model Based on Spherical Harmonics Expansion of the Valence Bands

Author(s):  
H. Kosina ◽  
M. Harrer ◽  
P. Vogl ◽  
S. Selberherr
VLSI Design ◽  
1998 ◽  
Vol 6 (1-4) ◽  
pp. 205-208 ◽  
Author(s):  
H. Kosina ◽  
M. Harrer

To represent the valence bands of cubic semiconductors a coordinate transformation is proposed such that the hole energy becomes an independent variable. This choice considerably simplifies the evaluation of the integrated scattering probability and the choice of the state after scattering in a Monte Carlo procedure. In the new coordinate system, a numerically given band structure is expanded into a series of spherical harmonics. This expansion technique is capable of resolving details of the band structure at the Brillouin zone boundary and hence can span an energy range of several electron-volts. Results of a Monte Carlo simulation employing the new band representation are shown.


2013 ◽  
Vol 89 ◽  
pp. 161-166 ◽  
Author(s):  
M. Bresciani ◽  
P. Palestri ◽  
D. Esseni ◽  
L. Selmi ◽  
B. Szafranek ◽  
...  

2018 ◽  
Vol 74 (6) ◽  
pp. 640-646
Author(s):  
K. R. Beyerlein ◽  
P. Scardi

An accurate description of the diffraction line profile from nanocrystalline powders can be obtained by a spherical harmonics expansion of the profile function. The procedure outlined in this work is found to be computationally efficient and applicable to the line profile for any crystallite shape and size. Practical examples of the diffraction pattern peak profiles resulting from cubic crystallites between 1 and 100 nm in size are shown.


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