| Budget Amount *help |
¥1,900,000 (Direct Cost: ¥1,900,000)
Fiscal Year 2000: ¥600,000 (Direct Cost: ¥600,000)
Fiscal Year 1999: ¥600,000 (Direct Cost: ¥600,000)
Fiscal Year 1998: ¥700,000 (Direct Cost: ¥700,000)
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| Research Abstract |
Research item 'electronic states of organic molecule on Si surface' : By calculating from the first-principle, we explain STM images of pentacene molecules with five benzen rings adsorbed on Si (001) 2×1 surface. We conclude that in the system consisting of tip-vacuum-organic molecule-substrate, electrons tunnel from the eigen states of the organic molecule-substrate system to tip via the vacuum.
Research item 'electronic states of fullerene derivatives' : we consider 1, 2, 3 and 6 impurity pentagons in carbon sheet. Calculation of 1 pentagon system reproduces STM images. For 2 pentagons, HOMOs quite resemble to those of C60 molecule on Si (001) 2×1 surface. For 3 pentagons, they also resemble to those of C60 on Si (111) 7×7 surface.
For 6 pentagons which is the model of the tip of carbon nanotube (CNT), we have gotten primitive results at this stage and are continuing calculation. Although many researchs of electronic states of CNT have been done over the world, the tip ends of all of CNT are 'open'. From the view point to utilize CNT for STM tip, we obtain electronic states of tip apex of 'closed' CNT.If pentagons of multi zig-zag CNT are arranged stellately, HOMOs have high charge density around 6 pentagons. Thus, we can reproduce field emission microscope (FEM) images which are obtained quite recently at Mie and Waseda Universities.
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