Investigation of fundamental physical properties of CdSiP_2 and its application in solar cell devices by using (ZnX; X = Se, Te) buffer layers

A.S. Verma; Ruchita Gautam; Pravesh Singh; Sheetal Sharma; Sarita Kumari

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Investigation of fundamental physical properties of CdSiP_2 and its application in solar cell devices by using (ZnX; X = Se, Te) buffer layers

机译：通过使用（ZnX; X = Se，Te）缓冲层研究CdSiP_2的基本物理性质及其在太阳能电池设备中的应用

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The first principles calculations were performed by the linearized augmented plane wave (LAPW) method as implemented in the WIEN_2K code within the density functional theory to obtain the structural, electronic and optical properties of CdSiP_2 in the body centered tetragonal (BCT) phase. The six elastic constants (C_(11), C_(12), C_(13), C_(33), C_(44) and C_(66)) and mechanical parameters were presented and compared with the available experimental data. The thermodynamic calculations within the quasi-harmonic approximation is used to give an accurate description of the pressure-temperature dependence of the thermal-expansion coefficient, bulk modulus, specific heat, Debye temperature, entropy Gruneisen parameters and hardness. Further, CdSiP_2 solar cell devices have been modeled; device physics and performance parameters are analyzed for zinc chalcogenide (ZnX; X - Se, Te) buffer layers. Simulation results for CdSiP_2 thin layer solar cell show the maximum efficiency (25.7%) with ZnSe as the buffer layer.

机译：第一原理计算是通过在密度泛函理论内以WIEN_2K代码实现的线性化增强平面波（LAPW）方法进行的，以获得CdSiP_2在体心四方（BCT）相中的结构，电子和光学性质。提出了六个弹性常数（C_（11），C_（12），C_（13），C_（33），C_（44）和C_（66））和力学参数，并与可用的实验数据进行了比较。使用准谐波近似中的热力学计算来准确描述热膨胀系数，体积模量，比热，德拜温度，熵Gruneisen参数和硬度对压力-温度的依赖性。此外，已经对CdSiP_2太阳能电池器件进行了建模；分析了硫属元素锌（ZnX; X-Se，Te）缓冲层的器件物理和性能参数。 CdSiP_2薄层太阳能电池的仿真结果表明，以ZnSe作为缓冲层的效率最高（25.7％）。

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来源
《Materials Science and Engineering》 |2016年第3期|18-27|共10页
作者
A.S. Verma; Ruchita Gautam; Pravesh Singh; Sheetal Sharma; Sarita Kumari;
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作者单位

Department of Physics, Banasthali Vidyapith, Rajasthan 304022, India;

Department of Physics, Banasthali Vidyapith, Rajasthan 304022, India,Department of Electronics and Communication, Krishna Institute of Engineering and Technology, Ghaziabad, Uttar Pradesh 201206, India;

Department of Physics, Banasthali Vidyapith, Rajasthan 304022, India,Department of Electronics and Communication, Krishna Institute of Engineering and Technology, Ghaziabad, Uttar Pradesh 201206, India;

Department of Physics, Swami Premanand Mahavidyalaya, Mukerian, Punjab 144211, India;

Department of Physics, University of Rajasthan, Jaipur 302004, India;

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正文语种 eng
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Semiconductors; Optical properties; Mechanical properties; Thermodynamic properties; Solar cell device;

机译：半导体;光学性质;机械性能热力学性质;太阳能电池装置;

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Investigation of fundamental physical properties of CdSiP_2 and its application in solar cell devices by using (ZnX; X = Se, Te) buffer layers

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