研究目的
To theoretically investigate the effect of magnetic field on the collision of oppositely charged polarons with their spin antiparallel in cis-polyacetylene and to explore the dynamical evolution of polaron spin under the influence of electric and magnetic fields, including the effects of electron-electron interaction.
研究成果
The study concludes that magnetic field promotes the generation of singlet exciton from the recombination of oppositely charged polarons with spin antiparallel, thereby improving the electroluminescence efficiency of OLEDs. This may explain the physical origin of MEL effect observed in organic materials.
研究不足
The magnetic field strength required to observe the spin precession is too strong to be performed realistically. Additionally, the absence of calculation of the yield of exciton prevents direct comparison with experimental data to qualitatively explain MEL effect.
1:Experimental Design and Method Selection:
The study uses the one-dimensional tight-binding SSH model improved by including electric field and electron-electron interaction in form of Hubbard model. The non-adiabatic dynamical evolution method is adopted to simulate the spin dynamics of polarons.
2:Sample Selection and Data Sources:
The study considers cis-polyacetylene with a chain of N=200 sites, which is long enough to eliminate chain-end effects.
3:List of Experimental Equipment and Materials:
Parameters chosen for cis-polyacetylene include t0=2.5eV, α=4.1eV/?, te=0.05eV, K=21eV/?2, M=1349.14eV·fs2/?2, and a=1.22?.
4:5eV, α=1eV/?, te=05eV, K=21eV/?2, M=14eV·fs2/?2, and a=22?.
Experimental Procedures and Operational Workflow:
4. Experimental Procedures and Operational Workflow: The temporal evolution of lattice displacement and electronic state is described by classical Newton equation of motion and time-dependent Schr?dinger equation, respectively, solved numerically by the Runge-Kutta method.
5:Data Analysis Methods:
The study analyzes the spin evolution, charge distribution, and lattice configuration during the scattering process of polarons under different magnetic field strengths and electron-electron interaction strengths.
独家科研数据包,助您复现前沿成果,加速创新突破
获取完整内容