| CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
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Optoelectronic Response of GeZn2O4 through the Modified Becke–Johnson Potential |
| Iftikhar Ahmad1, B. Amin2*, M. Maqbool3, S. Muhammad2, G. Murtaza4, S. Ali5, N. A. Noor5 |
1Department of Physics, University of Malakand, Pakistan
2Materials Modeling Lab, Department of Physics, Hazara University, 21300, Pakistan
3Department of Physics and Astronomy, Ball State University, Indiana, 47306-0505, USA
4Department of Physics, Islamia College University, Peshawar, Pakistan
5Department of Physics, University of the Punjab, Quaid-e-Azam Campus, 54590, Pakistan |
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| Cite this article: |
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Iftikhar Ahmad, B. Amin, M. Maqbool et al 2012 Chin. Phys. Lett. 29 097102 |
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Abstract A first-principles technique capable of describing the nearly excited states of semiconductors and insulators, namely the modified Becke–Johnson (mBJ) potential approximation, is used to investigate the electronic band structure and optical properties of spinel oxides: GeZn2O4. The predicted band gaps using the mBJ approximation are significantly more accurate than the proposed previous theoretical work using the common LDA and GGA. Band gap dependent optical parameters, like the dielectric constant, index of refraction, reflectivity and optical conductivity are calculated and analyzed. The results from the dielectric constant shows that the numerical value of the static dielectric, after dropping constantly, becomes less than zero and the material exhibits metallic behavior. The refractive index also drops below unity for photons higher than 18 eV, which indicates that the velocities of incident photons are greater than the velocity of light. However, these phenomena can be explained by the fact that a signal must be transmitted as a wave packet rather than a monochromatic wave. This comprehensive theoretical study of the optoelectronic properties predicts that these materials can effectively be used in optical devices.
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Received: 09 January 2012
Published: 01 October 2012
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| PACS: |
71.15.Mb
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(Density functional theory, local density approximation, gradient and other corrections)
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78.20.-e
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(Optical properties of bulk materials and thin films)
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85.60.-q
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(Optoelectronic devices)
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