Strong excitonic effect in organic-inorganic hybrid crystals

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• 作者：Yubo Zhang^a ; ^b ; Shan Zheng^a ; Xiudong Sun^b ; ^{xdsun@hit.edu.cn} ; Wenqing Zhang^a ; ^{wqzhang@sic.ac.cn}
• 关键词：A. Organic&ndash ; inorganic hybrid crystals ; D. Excitonic effect ; E. Bethe&ndash ; Salpeter equation
• 刊名：Solid State Communications
• 出版年：2012
• 期刊代码：101_00381098
• 类别：ms
• 出版时间：July, 2012
• 卷：152
• 期：14
• 页码：1259-1262
• 文件大小：687 K

摘要

We investigate the optical properties of the hybrid crystal ZnTe(C₂H₈N₂)_0.5 from first principles. The excitonic effect is included by solving the Bethe-Salpeter equation for the two-particle Green's function. The inorganic ZnTe acts as optical active layer and the excitonic wave function is confined within it by C₂H₈N₂ layers. Due to the confinement of electronic states, electron-hole interaction within ZnTe layers is enhanced and the absorption spectra are thus changed drastically. The exciton binding energies are 0.54 and 0.42 eV for 伪 and 尾 structures, respectively. The calculated quasiparticle gap of the 尾 structure is 3.68 eV.