Influence of spin-orbit interaction on magnetic properties of fullerenes Topical Issue: Atomic Cluster Collisions (7th International Symposium) G. Delgado Barrio, A. Solov'Yov, P. Villarreal and R. Prosmiti

The current paper is devoted to the consideration of s p 2-carbonaceous fullerenes molecules in a homogeneous magnetic field. Due to a reduction system symmetry in the magnetic field, the energy splitting gives rise dominant atomic structures in fullerene molecules with local symmetries. Spin-orbit interaction plays a crucial role in this phenomenon. The current paper is aimed at determine spin-orbit coupling parameters, as an energy E SO and a constant a SO as well as a Lande g-factor for the C60-based compounds in the magnetic field. © 2016 EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg

Influence of spin-orbit interaction on magnetic properties of fullerenes Topical Issue: Atomic Cluster Collisions (7th International Symposium) G. Delgado Barrio, A. Solov'Yov, P. Villarreal and R. Prosmiti

The current paper is devoted to the consideration of s p 2-carbonaceous fullerenes molecules in a homogeneous magnetic field. Due to a reduction system symmetry in the magnetic field, the energy splitting gives rise dominant atomic structures in fullerene molecules with local symmetries. Spin-orbit interaction plays a crucial role in this phenomenon. The current paper is aimed at determine spin-orbit coupling parameters, as an energy E SO and a constant a SO as well as a Lande g-factor for the C60-based compounds in the magnetic field. © 2016 EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg

Spin-orbit coupling of sp2 nanocarbons and magnetism of fullerene C60 in view of spin peculiarities of unrestricted Hartree–Fock solution

The paper presents the first application of unrestricted Hartree–Fock formalism to the consideration of spin-orbit coupling (SOC) of open-shell systems in general and sp2 nanocarbons in particular. The SOC parameters determination is exhibited on the example of stretched ethylene. g-Factor determination addresses fullerene C60 due to its peculiar “paradiamagnetic” behavior at low temperature characterized by a set of local spins with different g-factors. The approach application has allowed not only to suggest a reliable explanation of the factor variability but to supplement it by a quantitative agreement with experimental data. © 2017 Taylor & Francis Group, LLC

Spin-orbit coupling of sp2 nanocarbons and magnetism of fullerene C60 in view of spin peculiarities of unrestricted Hartree–Fock solution

The paper presents the first application of unrestricted Hartree–Fock formalism to the consideration of spin-orbit coupling (SOC) of open-shell systems in general and sp2 nanocarbons in particular. The SOC parameters determination is exhibited on the example of stretched ethylene. g-Factor determination addresses fullerene C60 due to its peculiar “paradiamagnetic” behavior at low temperature characterized by a set of local spins with different g-factors. The approach application has allowed not only to suggest a reliable explanation of the factor variability but to supplement it by a quantitative agreement with experimental data. © 2017 Taylor & Francis Group, LLC