Electronic structure calculations and optical properties of a new organic-inorganic luminescent perovskite: (C9H19NH3)2PbI2Br2

被引：34
作者：
Abid, H. [1 ,3 ]
Samet, A. [1 ]
Dammak, T. [1 ]
Mlayah, A. [2 ]
Hlil, E. K. [3 ]
Abid, Y. [1 ]
机构：
[1] Univ Sfax, Fac Sci, Appl Phys Lab, Sfax, Tunisia
[2] Univ Toulouse, CEMES, CNRS, F-31055 Toulouse, France
[3] Univ Grenoble 1, Inst Neel, CNRS, F-38042 Grenoble, France
来源：
JOURNAL OF LUMINESCENCE | 2011年 / 131卷 / 08期
关键词：
Absorption; Photoluminescence; Exciton; Electronic structure calculations; DFT; FLAPW; DIELECTRIC CONFINEMENT; X-RAY; SEMICONDUCTOR; STATES;
D O I：
10.1016/j.jlumin.2011.03.034
中图分类号：
O43 [光学];
学科分类号：
070207 ; 0803 ;
摘要：
(C9H19NH3)(2)PbI2Br2 compound is a new crystal belonging to the large hybrid organic-inorganic perovskites compounds family. Optical properties are investigated by optical absorption UV-visible and photoluminescence (PL) techniques. Bands to band absorption peak at 2.44 eV as well as an extremely strong yellow-green photoluminescence emission at 2.17 eV is observed at room temperature. First principle calculations based on the DFT and FLAPW methods combined with LDA approximation are performed as well. Density of state close to the gap is presented and discussed in terms of optical absorption and photoluminescence experimental results. The perfect agreement between experimental data and electronic structure calculations is highlighted. (C) 2011 Elsevier B.V. All rights reserved.
引用
收藏
页码：1753 / 1757
页数：5
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