Micro- and nanocrystalline, porous, composite semiconductors

Structure and properties of small clusters of transition 3$d$-element oxides

A. V. Popov

Altai State Technical University

Abstract: The results of calculations of the parameters of the equilibrium structures of small clusters of transition 3$d$-element oxides are presented. The calculations are performed by the spin-unrestricted Hartree–Fock method. The properties of the most stable structures, i.e., those with the lowest total energies among all those obtained, are discussed.

Received: 30.03.2010
Accepted: 14.07.2010

 English version: Semiconductors, 2011, 45:3, 333–337

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