ヤナセ　タカシ   Yanase Takashi   柳瀨　隆    所属   東邦大学  理学部 化学科    職種   講師
論文種別	原著
言語種別	英語
査読の有無	査読あり
表題	Rich interfacial chemistry and properties of carbon-doped hexagonal boron nitride nanosheets revealed by electronic structure calculations
掲載誌名	正式名：Japanese Journal of Applied Physics ISSNコード：1347-4065
出版社	Japan Society of Applied Physics
巻・号・頁	57(4)
著者・共著者	Wei Xie,Takahiro Tamura,Takashi Yanase,Taro Nagahama,Toshihiro Shimada
発行年月	2018/04/01
概要	The effect of C doping to hexagonal boron nitride (h-BN) to its electronic structure is examined by first principles calculations using the association from π-electron systems of organic molecules embedded in a two-dimensional insulator. In a monolayered carbon-doped structure, odd-number doping with carbon atoms confers metallic properties with different work functions. Various electronic interactions occur between two layers with odd-number carbon substitution. A direct sp3 covalent chemical bond is formed when C replaces adjacent B and N in different layers. A charge transfer complex between layers is found when C replaces B and N in the next-neighboring region, which results in narrower band gaps (e.g., 0.37 eV). Direct bonding between C and B atoms is found when two C atoms in different layers are at a certain distance.
DOI	10.7567/JJAP.57.04FL11