@ARTICLE{Mahmood_Q._First_2020,
 author={Mahmood, Q. and Rouf, S. A. and Algrafy, E. and Murtaza, G. and Ramay, S. M. and Mahmood, A.},
 volume={28},
 number={1},
 journal={Opto-Electronics Review},
 pages={8-14},
 howpublished={online},
 year={2020},
 publisher={Polish Academy of Sciences (under the auspices of the Committee on Electronics and Telecommunication) and Association of Polish Electrical Engineers in cooperation with Military University of Technology},
 abstract={The perovskites XBiO3 (X = Al, Ga, In) have been studied in terms of mechanical, optical and thermoelectric behavior for energy harvesting application. Density functional theory is applied to study electronic, optical and thermoelectric properties of the studied materials. Structural, mechanical and thermodynamic stabilities are confirmed from the tolerance factor, Born mechanical stability and formation energy/specific heat capacity. Poisson and Plough ratios show the studied materials are ductile and have ability to withstand pressure. Band structure analysis shows the indirect band gap 3.0/2.1/1.0 eV for ABO/GBO/IBO. A complete set of optical spectra is reported by dielectric constants, refractive index, optical conduction, absorption of light and optical loss energy. Shifting of maximum absorption band to visible region increases the potential of perovskites XBiO3. Transport characteristics are also investigated by electrical conductivity, Seebeck coefficient and figure of merit.},
 type={Article},
 title={First principle analysis of electronic, optical and thermoelectric characteristics of XBiO3 (X = Al, Ga, In) perovskites},
 URL={http://journals.pan.pl/Content/115765/PDF/OPELRE_2020_28_1_Q_Mahmood.pdf},
 doi={10.24425/opelre.2020.132497},
 keywords={Density functional theory, structural stability, optoelectronics, Thermoelectric applications, Indirect band gap semiconductors},
}