Structural characterisation of Cu2.04Zn0.91Sn1.05S2.08Se1.92
Structural characterisation of Cu2.04Zn0.91Sn1.05S2.08Se1.92
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Cu2.04Zn0.91Sn1.05S2.08Se1.92的结构表征
DOI：
10.1002/pssc.201400307
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发表时间：
2015
期刊：
影响因子：
--
通讯作者：
S. Schorr
中科院分区：
文献类型：
--
作者：
G. Gurieva;M. Dimitrievska;S. Zander;A. Pérez‐Rodríguez;V. Izquierdo‐Roca;S. Schorr
四元铜锌锡(S_1-xSex)_4化合物是一种很有前途的薄膜太阳电池吸收层半导体材料。记录效率器件(12.6%)表现出吸收层的非化学计量成分。这些与化学计量学的偏差导致了本征的点缺陷，这在很大程度上决定了半导体的电子性质。用中子衍射法研究了x=0.48的近C型非化学计量比铜锡富锌贫铜锌锡(S_1-xSex)_4混晶的结构。用平均中子散射法测定了晶体的平均中子散射长度，结果表明混晶具有凯斯特矿型结构。详细的阳离子分布分析表明，在z=1/4和3/4的平面上，除了铜锌无序外，还出现了锌铜(2a)和锡锌反位点缺陷。
Quaternary Cu2ZnSn(S1-xSex)4 compounds are promising semiconductor materials for absorber layer in thin film solar cells. Record efficiency devices (12.6%) exhibit an off-stoichiometric composition of the absorber layer. These deviations from stoichiometry cause intrinsic point defects, which determine the electronic properties of the semiconductor significantly. A structural analysis of a nearly C-type off-stoichiometric Cu and Sn rich and Zn poor Cu2ZnSn(S1-xSex)4 mixed crystal with x=0.48 by a neutron diffraction investigation was performed. The average neutron scattering length method was applied, showing that the mixed crystal adopts the kesterite type structure. A detailed cation distribution analysis revealed the occurrence of ZnCu(2a) and SnZn anti-site point defects additional to the Cu-Zn disorder in the planes at z=1/4 and 3/4. (© 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)