Electronic properties of single and arranged organic molecules on semiconductor surfaces

我们从实验和理论上研究了有机分子在Si（100）表面的吸附态和电子结构。所得结果总结如下。(1)We利用低温扫描隧道显微镜（STM）研究了不对称烯烃分子与不对称二聚体在Si（100）c（4x 2）上的区域选择性环加成反应。第一性原理计算阐明了反应机理。（2）研究了乙烯在Si（100）c（4 × 2）上的光诱导反应和脱附。（3）研究了吸附温度对1，4-环己二烯吸附状态的影响。利用扫描隧道显微镜发现了三种不同的吸附状态。室温吸附物种（可能是表型物种）的STS测量进行。（4）利用SPring 8软X射线发射光谱仪直接探测了SiO_2/Si（111）界面的电子态。首次阐明了特定位点的电子态。(5)In在第一性原理计算的框架下，研究了Si（100）表面有机分子在偏压下的电子态。分子轨道的能移依赖于电场的高度和强度。(6)We建立了一套包括精细电子枪的装置，可用于电子诱导表面反应，以制备亚微米人工结构。本文研究了Si（100）上Fe（CO_5）多层膜的电子诱导铁沉积。

We investigated adsorbed states and electronic structures of organic molecules on the Si(100) surface experimentally and theoretically. Obtained results are summarized as follows.(1)We found out the regioselective cycloaddition reaction between asymmetric alkene molecules and the asymmetric dimer on Si(100)c(4x2) using low temperature STM. The first principles calculations have elucidated the reaction mechanism.(2)Photo induced reaction and desorption were investigated for the π-complex type weakly adsorbed ethylene on Si(100)c(4x2).(3)Adsorbed states of 1,4-cyclohexadiene were investigated as a function of adsorption temperature. Three different adsorbed states were found out using STM. The STS measurements of room-temperature adsorbed species (probably a table type species) were performed.(4)The electronic states of interface at SiO_2/Si(111) were directly probed by means of soft-X ray emission spectroscopy using SPring8. The site-specific electronic states are elucidated for the first time.(5)In the framework of the first principles calculation, the electronic states of organic molecules on Si(100) under electric bias were investigated. Energy shifts of molecular orbitals depend on the height and the strength of electric field.(6)We have constructed an apparatus including a fine electron gun which can be used for electron induced surface reaction in order to fabricate sub μm artificial structures. We demonstrated the electron-induced iron deposition from Fe(CO_)5 multilayer on Si(100).