Notes, derivations, and codes for thermoelectrics of Dirac materials. If readers benefit from these notebooks, please cite our paper: Optimal band gap for improved thermoelectric performance of two-dimensional Dirac materials, which is published in Journal of Applied Physics 126, 035109 (2019).
There are several Jupyter (Python) notebooks related to the paper:
- DiracTE.ipynb for the main results of our paper. The calculations are performed within the energy-dependent relaxation time approximation.
- DiracTE-CRTA.ipynb for the results in Appendix. The calculations are performed within the constant relaxation time approximation.
- DiracTE-parabolic.ipynb for calculation of thermoelectrics of parabolic bands, compared with that of Dirac bands.
- FitDiracParabolic.ipynb to see if the results for Dirac bands can be fitted with parabolic bands.
For the best online rendering of the Python notebooks, please use nbviewer.jupyter.org and type this GitHub repository address: artnugraha/DiracTE
Contributors:
- Eddwi Hesky Hasdeo, heskyzone [at] gmail [dot] com
- Lukas Primahatva Adhitya Krisna, lukasprimahatva [at] live [dot] com
- Muhammad Yusrul Hanna, muh.yusrul.h [at] gmail [dot] com
- Bobby Eka Gunara, bobgunara [at] gmail [dot] com
- Nguyen Tuan Hung, hung [at] live [dot] jp
- Ahmad Ridwan Tresna Nugraha, art.nugraha [at] gmail [dot] com
E.H.H. initiated the project with A.R.T.N. and laid out the guideline for the calculations. L.P.A.K. and A.R.T.N. then wrote the Jupyter notebooks and coded numerically in Python based on E.H.H.'s analytical calculations. M.H.Y. contributed to the first-principles calculations to be compared with the main results. B.E.G. and N.T.H. re-checked and confirmed the analytical calculations. All authors discussed the results and contributed to the writing of the paper.