Premium
Anharmonicity in the surface and size effects in the specific heat of linear chains
Author(s) -
Ma S. K. S.,
de Wette F. W.,
Alldredge G. P.
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.2220780121
Subject(s) - anharmonicity , monatomic ion , debye model , thermodynamics , perturbation (astronomy) , debye , particle size , heat capacity , specific heat , materials science , condensed matter physics , chemistry , physics , quantum mechanics , organic chemistry
Contributions of anharmonicity to the size and surface effects in the specific heat of the monatomic linear chain are investigated with anharmonic perturbation theory for small to intermediate number of atoms and for temperatures from 0 K up to θ 0 , the zero‐temperature Debye temperature. It is shown that the surface specific heat C S can reliably be extracted for chains of intermediate particle number, although size effects are still quite appreciable for chains of as many as 50 atoms. The main effects of anharmonicity in the surface specific heat (as compared to that of a harmonic chain) are a small peak at T ≈ 0.09θ 0 and a linear increase with T for T ⪆ 0.7θ 0 .