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首页> 外文期刊>Journal of Alloys and Compounds: An Interdisciplinary Journal of Materials Science and Solid-state Chemistry and Physics >Ab-initio investigation of structural, electronic and optical properties of In_xGa_(1-x)As, GaAs_(1-y)P_y ternary and In_xGa_(1-x)As_(1-y)P_y quaternary semiconductor alloys
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Ab-initio investigation of structural, electronic and optical properties of In_xGa_(1-x)As, GaAs_(1-y)P_y ternary and In_xGa_(1-x)As_(1-y)P_y quaternary semiconductor alloys

机译:从头开始研究In_xGa_(1-x)As,GaAs_(1-y)P_y三元和In_xGa_(1-x)As_(1-y)P_y四元半导体合金的结构,电子和光学性质

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摘要

The structural, electronic and optical properties of In_xGa_(1-x)As, GaAs_(1-y)P_y ternary and In,Gai_xAsi-yPy quaternary semiconductor alloys are investigated using first-principles plane-wave pseudo-potential method within the LDA approximations. For these alloys lattice parameters, bulk modulus, band gap energy and density of states are calculated. Besides, we have calculated the optical parameters (dielectric functions, energy loss function, reflectivity, absorption and refractive index) of these semiconductor alloys. Our results agree well with the available theoretical and experimental data in the literature.
机译:在LDA近似内,采用第一原理平面波伪势方法研究了In_xGa_(1-x)As,GaAs_(1-y)P_y三元和In,Gai_xAsi-yPy四元半导体合金的结构,电子和光学性质。 。对于这些合金的晶格参数,计算了体积模量,带隙能量和态密度。此外,我们还计算了这些半导体合金的光学参数(介电函数,能量损失函数,反射率,吸收率和折射率)。我们的结果与文献中可用的理论和实验数据非常吻合。

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