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首页> 外文期刊>Physica Scripta: An International Journal for Experimental and Theoretical Physics >Optoelectronic and thermoelectric behavior of XIn2Te4 (X=Mg, Zn and Cd) for energy harvesting application; DFT approach
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Optoelectronic and thermoelectric behavior of XIn2Te4 (X=Mg, Zn and Cd) for energy harvesting application; DFT approach

机译:XIN2TE4(X = MG,ZN和CD)的光电和热电行为用于能量收集应用; DFT方法

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摘要

The electronic, optical and thermoelectric properties of XIn2Te4 (X=Mg, Zn, Cd) spinels for energy harvesting device applications are discussed by simulation based wien2k code. The structural and thermodynamic stabilities of the cubic phase have been confirmed by negative enthalpy of formation. The band gap (1.51?1.20 eV) decreases with the increase in lattice constant as the cation change from Mg to Cd. Therefore, the optical properties are tunable and discussed in terms of the computed dielectric constant, refraction, optical conductivity and loss factor. The maximum absorption in the visible region suggests the studied spinels appropriate for solar cells and optoelectronic devices. The thermoelectric analysis reveals that the larger values of electrical conductivity, Seebeck coefficient and power factor improve the figure of merit.
机译:基于仿真的Wien2K码讨论了用于能量收集装置应用的Xin2Te4(X = Mg,Zn,CD)尖晶线的电子,光学和热电性能。 立方相的结构和热力学稳定性通过形成的阴性焓确认。 带隙(1.51≤1.20eV)随着晶格常数的增加而随着阳离子从Mg变为CD而增加。 因此,光学性质被调谐,并根据计算的介电常数,折射,光导率和损耗因子而讨论。 可见区域中的最大吸收表明所研究的尖晶石适用于太阳能电池和光电器件。 热电分析揭示了导电性较大值,塞贝克系数和功率因数改善了优点的图。

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