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First Principal Investigations of Optical Properties of SrTiO3 Doped with C Under bi-axial (001) Strain Regime Influence |
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PP: 49-55 |
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doi:10.18576/ijtfst/140108
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Author(s) |
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Raied A. S. AL-Hamadany,
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Abstract |
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| In this paper, the role of structural distortion originates from strain and its influence on the optical properties of CTi doped SrTiO3 (STO) was investigated utilizing density functional theory calculations. Real and imaginary parts of dielectric constant as well as refractive index have been examined under range of c/a distortion. It has been demonstrated that optical properties of CTi doped STO in various orientations are substantially impacted within the sign and degree of range of bi-axial strain typical of common substrate materials. Despite the invariable values of in-plane components of static dielectric constant with strain, compressive strain substantially lowered the out-plane component, down to 4.88 for 4%. On the other hand, both components dropped with increasing of tensile strain to be 4.82 and 5.10 for in and out-plane components, respectively. An absorption peak at about 2.5eV appears as the bi-axial compressive strain grows within the (001) plane. A drop in absorption peak at 3 eV for both inter and intra-plane components were obtained when tensile strain increases. The outcomes of this study are anticipated to highlight novel opportunities for the advancement of optoelectronic devices.
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