Quantum delocalization and correlation effects in one-dimensional chains of adsorbed hydrogen atoms

2010 ◽  
Vol 82 (19) ◽  
Author(s):  
Benjamin Berberich ◽  
Axel Groß
2020 ◽  
Vol 504 ◽  
pp. 144434 ◽  
Author(s):  
Na Cheng ◽  
Ling Zhang ◽  
Yuhang Li ◽  
Liyuan Chen ◽  
Hao Jiang ◽  
...  

2008 ◽  
Vol 78 (16) ◽  
Author(s):  
Luke Shulenburger ◽  
Michele Casula ◽  
Gaetano Senatore ◽  
Richard M. Martin

2005 ◽  
Vol 71 (20) ◽  
Author(s):  
X. Barnabé-Thériault ◽  
A. Sedeki ◽  
V. Meden ◽  
K. Schönhammer

1998 ◽  
Vol 513 ◽  
Author(s):  
S. Yu. Zaginaichenko ◽  
Z. A. Matysina ◽  
D. V. Schur ◽  
V. K. Pishuk

ABSTRACTThe theoretical investigation of solubility isosteres of adsorbed hydrogen has been performed for free face (0001) of crystals with hexagonal close-packed lattice A3 of Mg type. The face free energy has been calculated and its dependence on temperature, pressure, hydrogen concentration and character of hydrogen atoms distribution over surface interstitial sites of different type has been defined. The equations of thermodynamic equilibrium and solubility of adsorbed hydrogen have been defined. The plots of isosteres in the region of phase transition from isotropic to anisotropic state have been constructed and it has been established that in anisotropic state the order in distribution of hydrogen atoms over interstitial sites of different type must become apparent. Comparison of the theoretical isosteres with experimental for ruthenium has been carried out, the isotropic-anisotropic state transition can stipulate a stepwise and break-like change in isosteres.


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