Monte Carlo calculations of adsorbate structures and the role of the vibrational entropy in phase transitions at surfaces

1989 ◽  
Vol 40 (10) ◽  
pp. 7115-7123 ◽  
Author(s):  
B. N. J. Persson
2018 ◽  
Vol 185 ◽  
pp. 08006
Author(s):  
Vitaly Konev ◽  
Evgeny Vasinovich ◽  
Vasily Ulitko ◽  
Yury Panov ◽  
Alexander Moskvin

We have applied a generalized mean-field approach and quantum Monte-Carlo technique for the model 2D S = 1 (pseudo)spin system to find the ground state phase with its evolution under application of the (pseudo)magnetic field. The comparison of the two methods allows us to clearly demonstrate the role of quantum effects. Special attention is given to the role played by an effective single-ion anisotropy ("on-site correlation").


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