Fe and Rh Doping Nanoarchitectonics on Properties of Sr2YGaX2O7 Pyrochlore Oxides with a DFT-Based Spin-Polarized Calculation for Optoelectronic and Thermoelectric Applications

This study examined the potential consequences of doping on Sr 2 YGaX 2 O 7 (X = Fe, Rh) photovoltaic properties. Density functional theory (DFT) was used to calculate pyrochlore oxides’ energy band structure and optical characteristics using the full potential linearized augmented plane wave (FP-LA...

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Veröffentlicht in:	Journal of inorganic and organometallic polymers and materials 2024-03, Vol.34 (3), p.952-968
Hauptverfasser:	Irfan, Muhammad, Shaheen, Nusrat, Solre, Gideon F. B., Alabbad, Eman A., Saleh, Ebraheem Abdu Musad, Moharam, M. M., El-Zahhar, Adel A., Asif, Sana Ullah, Eldin, Sayed M., Tahir, Mudassir Hussain, Aslam, Muhammad
Format:	Artikel
Sprache:	eng
Schlagworte:	Absorptivity Chemistry Chemistry and Materials Science Density functional theory Doping Electron states Energy bands Inorganic Chemistry Iron Mathematical analysis Optical properties Optoelectronics Organic Chemistry Oxides Plane waves Polymer Sciences Pyrochlores Reflectance Refractivity Seebeck effect Solar heating Thermoelectric materials Transport properties Transport theory
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