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Surface and Size Effects in the Specific Heat of Linear Chains
Author(s) -
Ma S. K. S.,
Alldredge G. P.,
De Wette F. W.
Publication year - 1976
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.2220760203
Subject(s) - monatomic ion , heat capacity , chain (unit) , debye model , atom (system on chip) , limiting , thermodynamics , surface (topology) , zero (linguistics) , chemistry , materials science , crystallography , physics , organic chemistry , mathematics , mechanical engineering , astronomy , computer science , engineering , embedded system , linguistics , geometry , philosophy
The size and surface effects in the specific heat of the monatomic linear chain are investigated for a small to intermediate number of atoms and for temperatures from O K up to θ 0 , the zero‐Debye temperature. It is shown that the surface‐excess heat capacity, δ C , can reliably be extracted for chains of as few as ten atoms, although size effects are still quite appreciable for 50 to 100 atoms. The low‐temperature limiting value of 1/2 k B for δ C is reached for T ⪅ 0.07θ 0 . The freezing out of the lowest non‐zero frequency in δ C becomes appreciable only for T ⪅ 0.05θ 0 , in the ten‐atom chain and, more generally, for T ⪅ 1/2θ 0 / N in the N ‐atom chain.