| CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
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Structural, Electronic and Optical Properties of BiAl xGa1−xO3 (x=0, 0.25, 0.5 and 0.75) |
| GONG Sai, WANG Yue-Hua**, ZHAO Xin-Yin, ZHANG Min, ZHAO Na, DUAN Yi-Feng
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Department of Physics, China University of Mining and Technology, Xuzhou 221116
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GONG Sai, WANG Yue-Hua, ZHAO Xin-Yin et al 2011 Chin. Phys. Lett. 28 087402 |
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Abstract A first principles study using the full potential linearized augmented plane wave (FP-LAPW) method is applied to study the structural, electronic and optical properties of BiAlxGa1−xO3. The results show that the alloys become markedly hard as the Al concentration increases. The calculated structural parameters are in good agreement with the experimental data. The band structure and density of states are obtained, which indicate that BiAlxGa1−xO3 has an indirect band gap. Moreover, the optical properties are calculated and analyzed in detail. It is proposed that BiAlxGa1−xO3 is a promising dielectric material.
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| Keywords:
74.25.Gz
78.20.Ci
73.20.At
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Received: 11 September 2010
Published: 28 July 2011
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| PACS: |
74.25.Gz
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(Optical properties)
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78.20.Ci
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(Optical constants (including refractive index, complex dielectric constant, absorption, reflection and transmission coefficients, emissivity))
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73.20.At
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(Surface states, band structure, electron density of states)
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