Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: First principles prediction of the solar cell efficiency of chalcopyrite
  materials AgMX2 (M=In,Al; X=S, Se,Te)   Using the Spectroscopic Limited Maximum Efficiency, and Shockley and Queisser
predictor models, we compute the solar efficiency of the chalcopyrites
AgMX2(M=In,Al;X=S,Se,Te). The results presented are based on the estimation of
the electronic and optical properties obtained from first principles density
functional theory as well as the many-body perturbation theory calculations.
The results from this report were consistent with the experimental data. The
optical bandgap was accurately estimated from the absorption spectra, obtained
by solving the Bethe and Salpeter equation. Fitting the Tauc's plot on the
absorption spectra, we also predicted that the materials studied have a direct
allowed optical transition. The theoretical estimations of the solar cell
performance showed that the efficiencies from the Shockley and Queisser model
are higher than those from the spectroscopic limited maximum efficiency model.
This improvement is attributed to the absorption.

8
The categories of this paper are: hep-ex
36
The categories of this paper are: cmp-lg
34
The categories of this paper are: chem-ph
13
The categories of this paper are: quant-ph
19
The categories of this paper are: eess
21
The categories of this paper are: adap-org
29
The categories of this paper are: funct-an
6
The categories of this paper are: astro-ph
17
The categories of this paper are: q-fin
35
The categories of this paper are: mtrl-th
33
The categories of this paper are: plasm-ph
37
The categories of this paper are: supr-con
12
The categories of this paper are: nucl-th
22
The categories of this paper are: chao-dyn
31
The categories of this paper are: ao-sci
3
The categories of this paper are: physics