First principles study of electronic and optical properties of the chromium doped BGO crystal

Lima, Adilmo Francisco de; Lalic, Milan V.

Please use this identifier to cite or link to this item: https://ri.ufs.br/jspui/handle/riufs/21541

Document Type:	Trabalhos em Eventos
Title:	First principles study of electronic and optical properties of the chromium doped BGO crystal
Authors:	Lima, Adilmo Francisco de Lalic, Milan V.
Issue Date:	2010
Resumo :	Ab-initio calculations based on density functional theory have been employed to study electronic properties of Cr doped Bi4Ge3O12 (BGO), as well as its optical absorption spectra in ultraviolet region. Two different situations have been analyzed: when the Cr is situated at the Ge position (Cr4+), and when it resides at the Bi site (Cr3+). For each case the band structure and absorption spectra were calculated, and the Cr contributions identified and interpreted. Comparison with the experimental data indicates that the Cr enters both the Ge and Bi sites during the doping.
Keywords:	Electronic properties Optical properties Bismuth ortho-germanate (BGO) Chromium doped BGO crystal
ISSN:	1742-6596 1742-6588
Is part of:	Journal of Physics: Conference Series
Language:	eng
Publisher / Institution :	IOP Publishing
Citation:	LIMA, A. F.; LALIC, M. V. First principles study of electronic and optical properties of the chromium doped BGO crystal. Journal of Physics: Conference Series, v. 249, 2010. Trabalho apresentado em 16º International Conference on Defects in Insulating Materials, 2008, [Aracaju]. Disponível em: https://iopscience.iop.org/article/10.1088/1742-6596/249/1/012035/pdf. Acesso em: 3 abr. 2025.
License:	Creative Commons Atribuição 4.0 Internacional (CC BY 4.0)
URI:	https://ri.ufs.br/jspui/handle/riufs/21541
Appears in Collections:	DFI - Artigos de periódicos DFI - Trabalhos apresentados em eventos

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