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Transport gap of organic semiconductors in organic modified Schottky contacts

机译：有机改性肖特基接触中有机半导体的传输间隙

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摘要

Two different organic molecules with similar structure, 3,4,9,10-perylenetetracarboxylic dianhydride (PTCDA) and N,N′-dimethyl-3,4,9,10-perylenetetracarboxylic diimide (DiMe-PTCDI), were used for the modification of Ag Schottky contacts on sulphur passivated GaAs(1 0 0) (S-GaAs). Such diodes were investigated recording in situ current―voltage (I―V) characteristics. As a function of the PTCDA thickness the effective barrier height of Ag/PTCDA/S-GaAs contacts initially increases from 0.59 +- 0.01 to 0.72 +- 0.01 eV, and then decreases to 0.54 +- 0.01 eV, while only a decrease in barrier height from 0.54 +- 0.01 to 0.45 +- 0.01 eV is observed for DiMe-PTCDI interlayers. The initial increase and decrease in effective barrier height for PTCDA and DiMe-PTCDI respectively, is correlated with the energy level alignment of the lowest unoccupied molecular orbital (LUMO) with respect to the conduction band minimum (CBM) of S-GaAs at the organic/inorganic semiconductor interface. Whilst there is an additional barrier for electrons at the PTCDA/S-GaAs interface of about 150 meV, i.e. the LUMO lies above CBM, the LUMO is aligned or below CBM in the DiMe-PTCDI case. The results also shine light on the important issue of the transport gap in organic semiconductors for which an estimation can be obtained.
机译：两种相似结构的不同有机分子3,4,9,10-per四羧酸二酐（PTCDA）和N，N'-二甲基-3,4,9,10-per四羧酸二酰亚胺（DiMe-PTCDI）用于修饰硫钝化GaAs（1 0 0）（S-GaAs）上的Ag Schottky触点的数量。研究了这种二极管，记录了原位电流-电压（IV）特性。作为PTCDA厚度的函数，Ag / PTCDA / S-GaAs触点的有效势垒高度最初从0.59 +-0.01升高至0.72 +-0.01 eV，然后降低至0.54 +-0.01 eV，而势垒仅降低对于DiMe-PTCDI中间层，观察到的高度为0.54±0.01至0.45±0.01eV。分别针对PTCDA和DiMe-PTCDI的有效势垒高度的初始增加和减小与最低有机分子轨道（LUMO）相对于有机S-GaAs导带最小值（CBM）的能级排列相关/无机半导体接口。尽管在PTCDA / S-GaAs界面上有大约150 meV的电子附加势垒，即LUMO位于CBM上方，但在DiMe-PTCDI情况下，LUMO排列成直线或位于CBM下方。结果也为有机半导体中传输间隙的重要问题提供了亮点，对此可以进行估算。

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