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Enhancement in physical properties of Pb-Based Perovskite Oxides ($PbGeO_{3}$): Ab initio Calculation

Autor: Agouri, M., Waqdim, A., Abbassi, A., Ouali, M., Taj, S., Manaut, B., Driouich, M.

In the present paper, the electronic, structural, thermodynamic, and elastic properties of cubic $PbGeO_{3}$ perovskite oxide are presented and computed using the WIEN2K code. The structural properties have been evaluated and they are in good agreeme

Externí odkaz: http://arxiv.org/abs/2301.13493

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Insight into the effect of rare earth $RE=Ce,\; Nd,\; Gd$ elements on the physical properties of Pb-Based Pervoskite Oxides ($PbREO_3$)

Autor: Agouri, M, Waqdim, A, Abbassi, A, Taj, S, Manaut, B, Driouich, M

The electronic, elastic, structural, thermoelectric and optical parameters of the Pb-based cubic perovskites $PbREO_3\; (RE=Ce,\; Gd,\; Nd)$ were calculated using the WIEN2k Package. The mechanical optimization and structural stabilities were evaluat

Externí odkaz: http://arxiv.org/abs/2211.07221

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Theoretical investigation of the physical properties of cubic perovskite oxides $SrXO_3 \;(X =Sc,\; Ge,\; Si)$

Autor: Waqdim, A, Agouri, M, Abbassi, A, Elhadadi, B., Zidane, Z., Taj, S, Manaut, B, Driouich, M, Idrissi, M El

Various physical properties (electronic, optical and thermoelectric) of cubic perovskite oxides $SrXO_3\; (X=Sc,\; Ge,\; Si)$ are investigated by using the density functional theory (DFT) within Wien2k code. This code is based on different approximat

Externí odkaz: http://arxiv.org/abs/2211.06622

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