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Semiconductor Technology. 2014, (09) Core

Effect of（100） Strain on the Optical and Electrical Properties of Cubic Ca2P0.25Si0.75Chinese Full Text

Cen Weifu;Yang Yinye;Fan Menghui;Yang Wenbang;Yao Juan;College of Science,Guizhou Minzu University;

Abstract: Energy band structure and optical properties of cubic Ca2P0. 25Si0. 75under（ 100） strain were calculated by the first-principle pseudo-potential method based on the density functional theory（ DFT）. The results show that the band gap of the cubic Ca2P0. 25Si0. 75 decreases with the increase of the compressive strain in the range of 90%- 100%; the band gap increases with the increase of the tensile strain in the range of 100%- 102%,and the direct band gap is maximum with Egof 0. 513 9 eV at the tensile strain of 102%; Ca2P0. 25Si0. 75 turns to indirect band gap semiconductor when the tensile strain is more than 102%,and the band gap decreases with the increase of the tensile strain in the range of102%- 120%. The optical properties of cubic Ca2P0. 25Si0. 75 change greatly. The dielectric constant,refractive index and absorption coefficient of the cubic Ca2P0. 25Si0. 75 increase with the increase of the compressive strain; the reflectivity increases with the increase of the tensile strain. In conclusion,the energy band structure and optical properties of cubic Ca2P0. 25Si0. 75 were changed by（ 100） strain,it is an effective method of adjusting the photoelectric transmission performance of cubic Ca2P0. 25Si0. 75.
Keywords：

Ca2P0.25Si0.75; energy band structure; optical property; strain; first-principle;

  • DOI：

    10.13290/j.cnki.bdtjs.2014.09.015

  • Series：

  • Subject：

  • Classification Code：

    TN304.2

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