Linewidth Calculations
Posted: Tue Apr 08, 2025 6:04 pm
Hi everyone,
I have been trying to calculate the linewidth for AB monolayer. I have included 12 excitonic states in SLEPC. When I run the file for calculating the linewidth I include all the 12 excitonic states in \lambda sum and \beta sum. Doing this, the linewidth I get for the first exciton (dark, with a degenerate partner) is about 3 eV. Also, I am unable to get the linewidth to converge for the \beta sum. The linewidth is just rising constantly. Attaching the output here:
I have been trying to calculate the linewidth for AB monolayer. I have included 12 excitonic states in SLEPC. When I run the file for calculating the linewidth I include all the 12 excitonic states in \lambda sum and \beta sum. Doing this, the linewidth I get for the first exciton (dark, with a degenerate partner) is about 3 eV. Also, I am unable to get the linewidth to converge for the \beta sum. The linewidth is just rising constantly. Attaching the output here:
I am unable to understand the why of this. Is it because the excitonic states are a lot?# Band E [eV] Life^-1 [meV] Width [meV]
#
1 3.278192 247.8336 2893.48
2 3.278298 247.8336 2893.48
3 3.279119 247.8336 2893.48
4 3.279280 363.7760 4009.39
5 3.280189 363.7760 4009.39
6 3.280275 363.7760 4009.39
7 3.367456 56.29752 656.2242
8 3.367497 56.29752 656.2242
9 3.367579 56.29752 656.2242
10 3.391387 31.13515 366.2377
11 3.391564 31.13515 366.2377
12 3.465672 5.187297 65.60325