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Mean field statistical mechanics of model Hamiltonian for hydrogen bonded phase transitions
Author(s) -
Rosli Mohd Mustaqim,
Lee Beck Sim,
Fun Hoong Kun
Publication year - 2009
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.200844354
Subject(s) - statistical mechanics , hamiltonian (control theory) , phase transition , thermodynamics , statistical physics , interpretation (philosophy) , amine gas treating , adduct , hydrogen , chemistry , materials science , physics , computational chemistry , quantum mechanics , mathematics , organic chemistry , computer science , mathematical optimization , programming language
Recently, a new prototype model has been proposed to explain structural phase transitions in single crystals of organic hydrogen bonded phenol–amine adducts. A variational calculation of the thermodynamic properties was able to explain the main features of the phase transition. We report an alternative statistical mechanical calculation which confirms the results of the earlier calculation even though self‐energy terms appear in the present calculation. The interpretation of the results within the pseudo spin representation is clarified further. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)