Electronic and magnetic properties of semiconducting nanoclusters and large organic molecules: Features interesting for spintronics

Yu A. Uspenskii, E. T. Kulatov, A. A. Titov, E. V. Tikhonov, F. Michelini, L. Raymond

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)

Abstract

Spin properties of single-doped and single-electron charged nano-systems having an odd number of electrons are studied. Starting from an expression for quasiparticle energies in the GW approximation, a simple analytical expression for the spin-splitting of an electron spectrum in such system is derived. First-principles calculations by the DFT-GGA, Hartree-Fock, GW- and hybrid functional methods, which were performed for the silicon clusters and metal phthalocyanine molecules of 1 nm diameter, support this analytical consideration. They show that the spin-splitting energy calculated by the DFT-GGA method is about one order lower, than the results obtained with the methods based on the many-electron theory. A large value of spin-splitting in investigated nano-systems, which is typically of several eV, has an origin in strong localization of electrons and weak screening of exchange interaction. A possible use of this effect in spintronic applications is discussed.

Original languageEnglish
Pages (from-to)3597-3600
Number of pages4
JournalJournal of Magnetism and Magnetic Materials
Volume324
Issue number21
DOIs
Publication statusPublished - Oct 2012
Externally publishedYes

Keywords

  • Metal phthalocyanine
  • Nanocluster
  • Spintronic

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