Spontaneous spin polarization in organic thiophene oligomers

Ferromagnetic mechanism in organic photovoltaic cells with closed-shell structures

“…( 5 ). In this case, each state ψ μ is spin mixing and is expressed in the basis of Wannier wave function as 20 , 31 , where Z μ , i , s means the probability amplitude of state ψ μ with spin s at site i . Together with the eigen-energy ε μ , it is determined by following eigen-equations, where is the spin-charge density matrix.…”

Simulations of polaron spin inversion in an organic semiconductor: Comparison of two mechanisms

“…The spin-flip term was introduced to model the factors responsible for spin flip other than the Rashba SOC. As revealed by Xie et al [25], the Rashba SOC and the spin-flip term are expected to play different roles in impacting the spin-dependent properties of polarons in organic semiconductors. In this paper, we aim to perform a detailed study on the Rashba SOC and the spin-flip term in a model Hamiltonian and compare the impacts of these two mechanisms on the polaron static and dynamical properties in conjugated polymer.…”

“…In particular, the dynamical properties of polaron spin under different spin interactions still remain unclear. Recently, a mechanism based on spin-flip term that is very similar in form to the Rashba SOC [23,24] was proposed to interpret the spin relaxation in one-dimensional organic systems [25]. The spin-flip term was introduced to model the factors responsible for spin flip other than the Rashba SOC.…”

Spontaneous spin polarization in rubrene studied by density functional theory calculations

“…They also found that the charged oligomer is spin polarized. Han et al also studied the spin polarization phenomenon of injected charges in organic thiophene oligomer by using extended Su-Schrieffer-Heeger model including electronelectron interaction, spin-orbit coupling as well as spin-flip effect [27]. They found that spontaneously spin polarization properties are related with the amount of injected charges and the polymerization of the molecule.…”

“…The phenyl ring and the tetracene backbone are not in the same plane. Appearance of the phenyl ring makes the structure different to other organic molecules, which were widely used to investigate the spontaneous spin polarization properties, such as Alq 3 and polythiophene [25][26][27][28]. It is interesting to discuss the impact of the rubrene particular structure to the spontaneous spin polarization upon spinless-hole injection.…”