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Structural and Optical Properties of Cs2AgBiBr6 Double Perovskite
ACS Energy Letters ( IF 19.3 ) Pub Date : 2018-12-19 00:00:00 , DOI: 10.1021/acsenergylett.8b02090 Laura Schade 1 , Adam D. Wright 1 , Roger D. Johnson 1 , Markus Dollmann 1 , Bernard Wenger 1 , Pabitra K. Nayak 1 , Dharmalingam Prabhakaran 1 , Laura M. Herz 1 , Robin Nicholas 1 , Henry J. Snaith 1 , Paolo G. Radaelli 1
ACS Energy Letters ( IF 19.3 ) Pub Date : 2018-12-19 00:00:00 , DOI: 10.1021/acsenergylett.8b02090 Laura Schade 1 , Adam D. Wright 1 , Roger D. Johnson 1 , Markus Dollmann 1 , Bernard Wenger 1 , Pabitra K. Nayak 1 , Dharmalingam Prabhakaran 1 , Laura M. Herz 1 , Robin Nicholas 1 , Henry J. Snaith 1 , Paolo G. Radaelli 1
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We present a comprehensive study of the relationship between the crystal structure and optoelectronic properties of the double perovskite Cs2AgBiBr6, which has emerged as a promising candidate for photovoltaic devices. On the basis of single-crystal/powder X-ray diffraction and neutron powder diffraction, we have revealed the presence of a structural phase transition at Ts ≈ 122 K between the room-temperature cubic structure (space group Fm3̅m) and a new low-temperature tetragonal structure (I4/m). From reflectivity measurements we found that the peak exciton energy Eex ≈ 2.85 eV near the direct gap shifts proportionally to the tetragonal strain, which is consistent with the Eex being primarily controlled by a rotational degree of freedom of the crystal structure, thus by the angle Bi–Ag–Br. We observed the time-resolved photoluminescence kinetics and we found that, among the relaxation channels, a fast one is mainly present in the tetragonal phase, suggesting that its origin may lie in the formation of tetragonal twin domains.
中文翻译：
Cs 2 AgBiBr 6双钙钛矿的结构和光学性质
我们目前对钙钛矿双晶体Cs 2 AgBiBr 6的晶体结构与光电性能之间的关系进行了全面的研究，这已成为光伏器件的有希望的候选者。上单晶/粉末X射线衍射和中子衍射的基础上，我们已揭示了结构相变的存在Ť小号的室温立方结构（空间群之间≈122ķ FM 3米）和一新的低温四边形结构（I 4 / m）。通过反射率测量，我们发现峰值激子能量E ex在直接间隙附近的≈2.85 eV与四方应变成比例地移动，这与E ex主要受晶体结构的旋转自由度控制，从而由Bi-Ag-Br角控制。我们观察了时间分辨的光致发光动力学，并且发现在弛豫通道中，一个快速通道主要存在于四方相中，这表明其起源可能在于四方孪晶结构域的形成。
更新日期：2018-12-19
中文翻译：
Cs 2 AgBiBr 6双钙钛矿的结构和光学性质
我们目前对钙钛矿双晶体Cs 2 AgBiBr 6的晶体结构与光电性能之间的关系进行了全面的研究，这已成为光伏器件的有希望的候选者。上单晶/粉末X射线衍射和中子衍射的基础上，我们已揭示了结构相变的存在Ť小号的室温立方结构（空间群之间≈122ķ FM 3米）和一新的低温四边形结构（I 4 / m）。通过反射率测量，我们发现峰值激子能量E ex在直接间隙附近的≈2.85 eV与四方应变成比例地移动，这与E ex主要受晶体结构的旋转自由度控制，从而由Bi-Ag-Br角控制。我们观察了时间分辨的光致发光动力学，并且发现在弛豫通道中，一个快速通道主要存在于四方相中，这表明其起源可能在于四方孪晶结构域的形成。
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