Establish of Bonding Conversion in Isolated Cluster and Production of Boren

2016 Fiscal Year Final Research Report

• Project/Area Number: 15K14106
• Research Category: Grant-in-Aid for Challenging Exploratory Research
• Allocation Type: Multi-year Fund
• Research Field: Physical properties of metals/Metal-base materials
• Research Institution: The University of Tokyo
• Principal Investigator: Kimura Kaoru 東京大学, 大学院新領域創成科学研究科, 教授 (30169924)
• Co-Investigator(Renkei-kenkyūsha): UCHIDA NORIYUKI 独立行政法人産業技術総合研究所, ナノエレクトロニクス研究部門, 主任研究員 (60400636)
• Research Collaborator: YAMAMURA HITOSHI 東京大学, 大学院新領域創成科学研究科 ; YAMAZAKI SHOHEI 東京大学, 大学院新領域創成科学研究科
• Project Period (FY): 2015-04-01 – 2017-03-31
• Keywords: 分子軌道計算 / 金属結合 / 共有結合 / Wood-Saxonポテンシャル / 水素吸蔵 / 液体ボロン / コンプトン散乱

Outline of Final Research Achievements

The orbital energies of metallic-bonded clusters correspond very well to electron energy levels in the Woods-Saxon potential, while those of covalent-bonded clusters do not. An electron in the Woods-Saxon potential is considered to be a free electron and a method of evaluation using this potential for metallic bonding of cluster has been given. The reason why an icosahedral structure is stable for Al13－ and a triangle lattice planar one for B13－ has been clear. On the other hand, production of boren has been given up, because other groups reported under our consideration. Instead of this, it has been discovered that the main bonding of liquid boron is covalent.

Free Research Field

材料物性学