论文标题
基于密度功能理论模拟的多体扰动理论的Biexciton状态能量
Biexciton State Energies from Many-Body Perturbation Theory Based on Density Functional Theory Simulation
论文作者
论文摘要
我们开发了一种基于密度功能理论（DFT）模拟的多体扰动理论（MBPT），使用多体扰动理论（MBPT）在半导体纳米结构中计算Biexciton状态的自我能源的方法。我们计算由手性单壁碳纳米管（SWCNT）中的单线激子组成的低能Biexciton状态的能量，例如（6,2），（6,5）和（10,5）。在所有情况下，我们都发现Biexciton差距很小减少：-0.045 $ ev $（6,2），这是非交互biexciton GAP的4.59％； -0.041 $ ev $ in（6,5），是非相互作用差距的4.47％，（10,5）中的-0.036 $ ev $，为4.31 \％。
We develop a method for computing self-energy of a biexciton state in a semiconductor nanostructure using many-body perturbation theory (MBPT) based on the density functional theory (DFT) simulation. We compute energies of low-energy biexciton states composed of singlet excitons in the chiral single-wall carbon nanotubes (SWCNT), such as (6,2), (6,5) and (10,5). In all cases we find a small decrease in the biexciton gap: -0.045 $eV$ in (6,2), which is 4.59\% of the non-interacting biexciton gap; -0.041 $eV$ in (6,5), which is 4.47\% of the non-interacting gap and -0.036 $eV$ in (10,5), which is 4.31\%.
