Microscopic Tunneling Theory

通过微观和非经验的数值模拟，发展了尖端-表面系统电子态分析的理论，从理论上阐明了原子尺度下的隧穿现象。Yoshimori（冈山科学大学）等从第一性原理出发，通过非经验计算得到了吸附在Si表面上的富勒烯和有机分子的电子态，并得到了组成吸附物-表面系统的单个原子的隧穿特性的知识。利用共振隧穿效应研究了准稳定激发的He束在金属表面上的单重态-三重态跃迁、脱附激发和价态涨落的形成。发展了适用于强电场和强电流作用下非平衡体系的第一性原理递推传递矩阵法。他已将其应用于各种尖端-表面系统，例如Al尖端-Si表面。此外，他还掌握了原子控制的基本机制，即任何表面原子的提取、移动或供应。Makoshi（姬路技术研究所）研究了通过倏逝光控制自旋的机制，并表明自旋状态是通过激发态光的自然荧光而改变的。已经表明共振翻转模型是理解扫描隧道微泡和扫描隧道光谱的物理基础的有力模型。小林（御茶水大学）利用屏蔽后的杂质库仑势，从理论上考察了半导体表面下体杂质的扫描隧道显微镜图像，阐明了实验中观察到的弗里德尔振荡的起源。

Developing the theory to analyze the electronic states of tip-surfae system which are obtained by microscopic and non-empirical numerical simulation, we have clarified theoretically the tunneling phenomena in the atomic scale.Yamaguchi (Shizuoka Univ.) has obtained the electronic states of fullerene and organic molecules adsorbed on Si surface by non-empirical calculation from the first principle, and got kowledge of tunnneling characteristics of individual atoms consisting of the adsorbate-surface system.Yoshimori (Okayama Univ.of Sci.) has examined the singlet-triplet transition, the desorption excitation, and the formation of valence fluctuation in the quasi-stably excited He beam on metal surfaces by the resonance tunneling effect.Tsukada (Tokyo Univ.) has developed the first-principle recursion-transfer matrix method which can be applied to the non-equilibrium system under the strong electric field and current. He has applied it to various tip-surface systems, for example, Al tip-Si surface. Furthermore, he has got knowledge of fundamental mechanism of the atom controle where any surface atom is extracted, moved, or supplied.Kitahara (Tokyo Inst.of Technol.) has examined the mechanism of spin-control by evanescent light, and showed that the spin state is changed by the natural fluorescence of light from the excited state.Makoshi (Himeji Inst.of Technol.) has shown that the resonant tummeling model is a powerful model to understand the basis of physics of the scanning tunneling microspope and scanning tunneling spectroscopy.Kobayashi (Ochanomizu Univ.) has theoretically examined, using the screened Coulomb potential of impurity, the image of scanning tunneling microscope of bulk impurities underneath the semiconductor surface, and clarified the origin of Friedel oscillation which is observed in the experiment.