Premium
From Small to Infinite F.C.C. Clusters
Author(s) -
Kadura P.,
Künne L.
Publication year - 1978
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.2220880218
Subject(s) - cluster (spacecraft) , crystallite , tight binding , rod , atom (system on chip) , enhanced data rates for gsm evolution , crystallography , cluster size , binding energy , convergence (economics) , materials science , molecular physics , geometry , physics , atomic physics , chemistry , condensed matter physics , electronic structure , mathematics , medicine , telecommunications , alternative medicine , pathology , economic growth , computer science , embedded system , programming language , economics
The size and shape dependence of some properties of finite f.c.c. clusters is investigated using the tight binding approximation. Three different sequences of rectangular prismatic f.c.c. crystallites with (100) surfaces (edge length A, B, C ) are taken into account, namely cubes ( A = B = C ), plates ( A = B ≫C ) and rods ( A = B≪ C ). Numerical results for the s‐like band structure, binding energy per atom, and Fermi level are presented in dependence on the number of atoms, up to some millions of atoms. The results visualize the convergence of the cluster properties and indicate their shape specifity.