首页|Investigation of Ce doped BaTiO(3 )compound for optoelectronic devices

Investigation of Ce doped BaTiO(3 )compound for optoelectronic devices

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The full potential linearized augmented plane wave (FP-LAPW) method based on the density functional theory (DFT) is employed to probe the optical and electronic features of Ba1-xCexTiO3 (x = 0%, 5.55%, 12.5%, 25% and 50%) perovskite oxides. The effect of Ce doping on the band structure (BS) and optical spectra of cubic BaTiO3 compound has been explored. The outcomes of this work unveil the indirect-band semiconducting nature of Ba1-xCexTiO3(x = 0%), which becomes direct after Ce doping. Moreover, the width of band gap (E-g) narrows with the upsurge of Ce concentration in BaTiO3. The optical behavior of Ba1-xCexTiO3 compounds is estimated through refractive index, reflectivity, dielectric constant, optical conductivity and absorption coefficient. The controlled reduction in E-g of BaTiO3 with rise in concentration of Ce is a useful tool to make this compound promising for optical and optoelectronic devices.

DopingDFTSemiconductorOptical propertiesBand gapOPTICAL-PROPERTIESTRANSITIONTITANATEDFTGD

Naz, Adeeba、Yaseen, Muhammad、Butt, Mehwish K.、Kashif, Muhammad、Zahid, Muhammad、Mubashir, Shanza、Somaily, H. H.、Aldaghfag, Shatha A.

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Univ Agr Faisalabad

Govt Coll Univ Faisalabad GCUF

King Khalid Univ

Princess Nourah bint Abdulrahman Univ

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2022

Physica

Physica

ISSN:0921-4526
年,卷(期):2022.631
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