Published April 1975 | Version v1
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Excess entropy for a vacancy in a crystal

Description

The excess entropy for a single vacancy in any crystal with cyclic boundary conditions is given, within the small perturbation approximation, by ΔS/k/sub B/ = d/2, independent of crystal structure and particle interaction, dependent only on the dimensionality of the crystal, d. It is argued that the effect of free surface boundary conditions on ΔS, within an exact theory, for any localized defect (not only a vacancy), is negligible. Using the vacancy perturbation result for ΔS and Lawson's formula, a value for the vacancy formation volume is obtained only in terms of known measured parameters. If localized vibrational modes are present due to the vacancy, what effect these might have on ΔS, and, from this, what materials might be candidates for observing these localized modes are discussed. (U.S.)

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Additional details

Publishing Information

Imprint Pagination
46 p.
Report number
KAPL-M--7412

INIS

Country of Publication
United States
Country of Input or Organization
United States
INIS RN
7219866
Subject category
S36: MATERIALS SCIENCE;
Descriptors DEI
CRYSTALS; ENTROPY; METALS; PERTURBATION THEORY; VACANCIES; VIBRATIONAL STATES
Descriptors DEC
CRYSTAL DEFECTS; CRYSTAL STRUCTURE; ELEMENTS; ENERGY LEVELS; EXCITED STATES; PHYSICAL PROPERTIES; POINT DEFECTS; THERMODYNAMIC PROPERTIES