| Project/Area Number |
05452269
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| Research Category |
Grant-in-Aid for General Scientific Research (B)
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| Allocation Type | Single-year Grants |
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| Research Field |
Physical properties of metals
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| Research Institution | Tohoku Univ. |
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Principal Investigator |
KAWAZOE Yoshiyuki Institute for Materials Research, Tohoku University, Professor, 金属材料研究所, 教授 (30091672)
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| Co-Investigator(Kenkyū-buntansha) |
TAKAHASHI Manabu IMR,Tohoku University, Research Associate, 金属材料研究所, 助手 (50250816)
HU Xiao IMR,Tohoku University, Research Associate, 金属材料研究所, 助手 (90238428)
OHNO Kaoru IMR,Tohoku University, Associate Professor, 金属材料研究所, 助教授 (40185343)
SHINDO Koichi College of Humanities and Social Sciences, Iwata University, Professor (10004384)
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| Project Period (FY) |
1993 – 1994
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| Project Status |
Completed (Fiscal Year 1994)
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| Budget Amount *help |
¥5,100,000 (Direct Cost: ¥5,100,000)
Fiscal Year 1994: ¥1,200,000 (Direct Cost: ¥1,200,000)
Fiscal Year 1993: ¥3,900,000 (Direct Cost: ¥3,900,000)
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| Keywords | microcluster / electronic states / vibrational states / first principle / magnetic moment / 金属 / メトカー / 成長メカニズム / バンド計算 / 魔法数 / 局所密度近似 |
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| Research Abstract |
Since metallic microclusters have large surface proportion compared to bulk, they are expected to have specific properties icluding magnetic properties. Recently, experimetal studies have progressed to be sucessful to control the sizes of these clusters. The present study aims to analyze in detail the electronic and vibrational states of the metallic microclusters and their aggregates.
The first example we have studies was the growth process of the Ti_8C_<12> metallic microcluster, which has a cage like structure with pentagonal elements on the surface. Compared with the well-known fullerenes, we applied tight-binging scheme to find out that no large cages formed for this case and the larger clusters are the combimations of the unit of Ti_8C_<12> metallic microclusters.
The next example is the Rh microcluters, which has magnetic moments, although the bulk Rh is nonmagnetic. The present DVM calculation reprodeced the experimental findings of 10 mu B at 10 atom cluter. Embedded cluters of Rh in Ni have also studied to give higher magnetic moments compared to the bare cases.
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