Band structure and Optical properties CdTe and CdSn3Te4 thin films
Band structure and Optical properties CdTe and CdSn3Te4 thin films
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CdTe 和 CdSn3Te4 薄膜的能带结构和光学特性
DOI：
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发表时间：
2008
期刊：
影响因子：
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通讯作者：
K. Sakthivel
中科院分区：
文献类型：
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作者：
T. Venkatachalam;S. Velumani;S. Ganesan;K. Sakthivel
以高纯元素组分为原料，在旋转炉中直接反应制备了CdTe和CdSn3Te4化合物。用蒙特卡罗方法模拟了在热壁蒸发装置中沉积CdTe和CdSn3Te4薄膜的最佳沉积条件。采用热壁蒸发法在玻璃衬底上制备了Cd Te和Cd Sn3Te薄膜。X射线衍射仪测试结果表明，所制备的薄膜分别为闪锌矿立方结构和岩盐结构。由X射线衍射谱确定其晶格参数为 = 6.476 A(Cd Te)和 = 6.238 A(Cd Sn3Te)。获得了不同薄膜的UV-VIS-NIR光学透射谱，发现薄膜的直接光学带隙分别为1.4 eV(CdTe)和0.8 eV(CdSn3Te4)。在GGA近似下，用从头算方法计算了CdTe和CdSn3Te4的电子结构、能带参数和光谱。实验结果与实验结果吻合较好。
CdTe and CdSn3Te4 compounds were prepared by direct reaction of their high purity elemental constituents using rotating furnace. Optimal deposition conditions for the deposition of CdTe and CdSn3Te4 thin films in hot wall evaporation setup were simulated using Monte Carlo technique. Thin films of CdTe and CdSn3Te4 were deposited on glass substrates by hot wall evaporation method. From the XRD measurements it was found that the films of CdTe and CdSn3Te4 were of cubic zinc‐blende and rock salt structures respectively. The lattice parameters were determined as a = 6.476 A (CdTe) and a = 6.238 A (CdSn3Te4) from the XRD data. The UV‐Vis‐NIR optical transmittance spectra of thin films of different films were obtained and it was found that the direct optical band gaps were 1.4 eV (CdTe) and 0.8 eV (CdSn3Te4). Electronic structure, band parameters and optical spectra of CdTe and CdSn3Te4 were calculated from ab initio studies within the GGA approximation. The experimental results were in good agreement with the ...