Analysis of TPD Spectra on Semiconductor Surfaces by Monte Carlo Simulations

1995 ◽  
Vol 399 ◽  
Author(s):  
Rajesh Venkataramani ◽  
Klavs F. Jensen
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Systematic Approach ◽  
Nearest Neighbor ◽  
Temperature Programmed Desorption ◽  
Experimental Results ◽  
Semiconductor Surfaces ◽  
Surface Reconstructions ◽  
Temperature Programmed

ABSTRACTThis work aims to provide a systematic approach for deriving desorption mechanisms on semiconductor surfaces from a coupling of temperature programmed desorption (TPD) experiments and Monte Carlo (MC) simulations. MC simulations are used to evaluate different desorption schemes to identify mechanisms consistent with experimental results. Effects of nearest neighbor interactions, island formation, and surface reconstructions are quantified through the simulations. Methyl desorption from Ga-rich GaAs is used as a case study to illustrate the MC procedure for interpretation of TPD spectra.

Monte Carlo simulations of long-range order kinetics in B2 phases

1995 ◽  
Vol 10 (3) ◽  
pp. 591-595 ◽  
Author(s):  
K. Yaldram ◽  
V. Pierron-Bohnes ◽  
M.C. Cadeville ◽  
M.A. Khan
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Nearest Neighbor ◽  
Vacancy Concentration ◽  
Relaxation Times ◽  
Nearest Neighbors ◽  
Migration Energy ◽  
Ordering Kinetics ◽  
Migration Barriers ◽  
Temperature Dependences

The thermodynamic parameters that drive the atomic migration in B2 alloys are studied using Monte-Carlo simulations. The model is based on a vacancy jump mechanism between nearest neighbor sites, with a constant vacancy concentration. The ordering energy is described through an Ising Hamiltonian with interaction potentials between first and second nearest neighbors. Different migration barriers are introduced fur A and B atoms. The results of the simulations compare very well with those of experiments. The ordering kinetics are well described by exponential-like behaviors with two relaxation times whose temperature dependences are Arrhenius laws yielding effective migration energies. The ordering energy contributes significantly to the total migration energy.

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