Study of structural, dynamical stability, electronic magnetic and optical properties of RbSnO3 oxide perovskite compound using the density functional theory approach DOI
Cheyma Boualleg,

Athmane Meddour,

Mohammed Hadi Gous

et al.

Physica Scripta, Journal Year: 2024, Volume and Issue: 99(6), P. 065919 - 065919

Published: April 18, 2024

Abstract This study investigates the structural, phonon, elastic, electronic, magnetic and optical properties of cubic perovskite RbSnO 3 . The calculations are based on linearized augmented plane wave method with total potential (FP-LAPW), implemented in Wien2k code; two approximations used for calculate properties, PBE-GGA TB-mBJ values tolerance factor formation energy this material indicate that it is stable structure Pm3̅m symmetry. Born criteria compound under confirm its mechanical stability, while phonon dispersion curves dynamic stability. results electronic show ferromagnetic (FM) semi-metallic (DM) semiconductor behavior majority spin channel an indirect gap M → Γ direction having a moment equal to 1 μ B Curie temperature 527 K. Optical spectra high conductivity infrared region towards end spectrum at around 6 eV, reflection maximum 0.25 absorption ultraviolet eV. In view these results, can be promising candidate spintronics applications as devices working (UV) light region.

Language: Английский

High-efficiency TOPCon solar cell with superior P + and P++ layer via one-step processing DOI
Xin Liu, Jianxin Sun, Yixuan Huang

et al.

Solar Energy, Journal Year: 2024, Volume and Issue: 271, P. 112448 - 112448

Published: March 1, 2024

Language: Английский

Citations

5
Study of structural, dynamical stability, electronic magnetic and optical properties of RbSnO3 oxide perovskite compound using the density functional theory approach DOI
Cheyma Boualleg,

Athmane Meddour,

Mohammed Hadi Gous

et al.

Physica Scripta, Journal Year: 2024, Volume and Issue: 99(6), P. 065919 - 065919

Published: April 18, 2024

Abstract This study investigates the structural, phonon, elastic, electronic, magnetic and optical properties of cubic perovskite RbSnO 3 . The calculations are based on linearized augmented plane wave method with total potential (FP-LAPW), implemented in Wien2k code; two approximations used for calculate properties, PBE-GGA TB-mBJ values tolerance factor formation energy this material indicate that it is stable structure Pm3̅m symmetry. Born criteria compound under confirm its mechanical stability, while phonon dispersion curves dynamic stability. results electronic show ferromagnetic (FM) semi-metallic (DM) semiconductor behavior majority spin channel an indirect gap M → Γ direction having a moment equal to 1 μ B Curie temperature 527 K. Optical spectra high conductivity infrared region towards end spectrum at around 6 eV, reflection maximum 0.25 absorption ultraviolet eV. In view these results, can be promising candidate spintronics applications as devices working (UV) light region.

Language: Английский

Citations

0