Quantum-Size Dependence of the Energy for Vacancy Formation in Charged Small Metal Clusters. Drop Model

Self-consistent computations of the monovacancy formation energy are performed for Na N , Mg N , and Al N (12 < N ≤ 168) spherical clusters in the drop model for stable jelly. Scenarios of the Schottky vacancy formation and “bubble vacancy blowing” are considered. It is shown that the asymptotic...

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Bibliographic Details
Published in:Physics of the solid state 2018-04, Vol.60 (4), p.634-639
Main Authors: Pogosov, V. V., Reva, V. I.
Format: Article
Language:English
Subjects:
Analysis
ASYMPTOTIC SOLUTIONS
CALCULATION METHODS
CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
ELECTRON ATTACHMENT
FORMATION HEAT
Free energy
Heat of formation
Ionization
IONIZATION POTENTIAL
Ionization potentials
Metal clusters
METALS
Physics
Physics and Astronomy
Solid State Physics
SPHERICAL CONFIGURATION
VACANCIES
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Summary:Self-consistent computations of the monovacancy formation energy are performed for Na N , Mg N , and Al N (12 < N ≤ 168) spherical clusters in the drop model for stable jelly. Scenarios of the Schottky vacancy formation and “bubble vacancy blowing” are considered. It is shown that the asymptotic behavior of the size dependences of the energy for the vacancy formation by these two mechanisms is different and the difference between the characteristics of a charged and neutral cluster is entirely determined by the difference between the ionization potentials of clusters and the energies of electron attachment to them.
ISSN:1063-7834
1090-6460
DOI:10.1134/S1063783418040248