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Please use this identifier to cite or link to this item: http://hdl.handle.net/10928/453

Title: 置換型不純物を含むグラフェンナノリボンにおける電子移動の第一原理計算
Other Titles: First-Principle Calculation of Electronic Transfer in Graphene Nanoribbon with Substitutional Dopant
Authors: 坂本, 昇一
露木, 祥大
富谷, 光良
TSUYUKI, Yoshihiro
TOMIYA, Mitsuyoshi
Keywords: graphene
electron transport property
I-V characteristics
density functional theory
transmission function
Issue Date: 1-Dec-2013
Publisher: 成蹊大学理工学部
Abstract: By using the ab initio density functional theory method and the non-equilibrium Green’s function approach, electronic transfer properties in armchair shaped edges graphene nanoribbons (AGNRs) doped with one substitutional boron or nitrogen impurity are numerically investigated. We find that the quantization of transmission function is moderated after doping impurity on AGNRs due to a geometrical distortion by dopant atom. Also the current through AGNRs under bias voltage can be evaluated from transmission function. We finally demonstrate I-V characteristics of doped AGNRs, from which the mobility is estimated. Our results show that doped AGNR semiconductors have higher mobility than the intrinsic one.
URI: http://hdl.handle.net/10928/453
Appears in Collections:第50巻第2号

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