Role of molecular distortions in the spin–orbit coupling between the singlet and triplet states of the 4π electron systems C4H4, C5H5+, and C3H3−

The CNDO/S CI method has been employed to calculate potential curves for singlet and triplet states along reaction path for photolysis of cyclopentanone (dissociation of the C-C bond and biradical formation). Spin-orbit coupling between these two states and the probability of intersystem crossing (ISC) in Landau-Zener approximation were calculated. This probability has proved enough to compete with nuclear spin induced ISC process. In this way some peculiarities of chemically induced dynamic nuclear polarization in formation of products via biradicals can be qualitatively understood.

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Spin–Orbit Coupling in Aromatic Hydrocarbons. Analysis of Nonradiative Transitions between Singlet and Triplet States in Benzene and Naphthalene

The Journal of Chemical Physics ◽

10.1063/1.1674940 ◽

1971 ◽

Vol 54 (3) ◽

pp. 1072-1085 ◽

Cited By ~ 199

Author(s):

Bryan R. Henry ◽

Willem Siebrand

Keyword(s):

Aromatic Hydrocarbons ◽

Orbit Coupling ◽

Triplet States ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Singlet And Triplet States ◽

Nonradiative Transitions

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THE ROLE OF SPIN-ORBIT COUPLING AND HYPERFINE COUPLING IN OPTICAL PUMPING OF F-CENTRES

Le Journal de Physique Colloques ◽

10.1051/jphyscol:1976718 ◽

1976 ◽

Vol 37 (C7) ◽

pp. C7-104-C7-104

Author(s):

K. E. MAUSER ◽

B. NIESERT ◽

A. WINNACKER

Keyword(s):

Hyperfine Coupling ◽

Optical Pumping ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit

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Dzyaloshinskii–Moriya interaction in noncentrosymmetric superlattices

npj Computational Materials ◽

10.1038/s41524-021-00592-8 ◽

2021 ◽

Vol 7 (1) ◽

Author(s):

Woo Seung Ham ◽

Abdul-Muizz Pradipto ◽

Kay Yakushiji ◽

Kwangsu Kim ◽

Sonny H. Rhim ◽

...

Keyword(s):

Heavy Metal ◽

Degrees Of Freedom ◽

Orbit Coupling ◽

Inversion Symmetry ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Band Formation ◽

Research Activities ◽

Moriya Interaction

AbstractDzyaloshinskii–Moriya interaction (DMI) is considered as one of the most important energies for specific chiral textures such as magnetic skyrmions. The keys of generating DMI are the absence of structural inversion symmetry and exchange energy with spin–orbit coupling. Therefore, a vast majority of research activities about DMI are mainly limited to heavy metal/ferromagnet bilayer systems, only focusing on their interfaces. Here, we report an asymmetric band formation in a superlattices (SL) which arises from inversion symmetry breaking in stacking order of atomic layers, implying the role of bulk-like contribution. Such bulk DMI is more than 300% larger than simple sum of interfacial contribution. Moreover, the asymmetric band is largely affected by strong spin–orbit coupling, showing crucial role of a heavy metal even in the non-interfacial origin of DMI. Our work provides more degrees of freedom to design chiral magnets for spintronics applications.

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