Carrier Mobility in Graphyne Should Be Even Larger than That in Graphene: A Theoretical Prediction

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• 作者：Jianming Chen ; Jinyang Xi ; Dong Wang ; Zhigang Shuai
• 刊名：The Journal of Physical Chemistry Letters
• 出版年：2013
• 出版时间：May 2, 2013
• 年：2013
• 卷：4
• 期：9
• 页码：1443-1448
• 全文大小：540K
• 年卷期：v.4,no.9(May 2, 2013)
• ISSN：1948-7185

文摘

We show here that the carrier mobility in the novel sp鈥搒p² hybridization planar 6,6,12-graphyne sheet should be even larger than that in the graphene sheet. Both graphyne and graphene exhibit a Dirac cone structure near the Fermi surface. However, due to the sp鈥搒p² hybridization forming the triple bonds in graphyne, the electron鈥損honon scattering is reduced compared with that of graphene. The carrier mobility is calculated at the first-principles level by using the Boltzmann transport equation coupled with the deformation potential theory. The intrinsic mobility of the 6,6,12-graphyne is 4.29 脳 10⁵ cm² V^鈥? s^鈥? for holes and 5.41 脳 10⁵ cm² V^鈥? s^鈥? for electrons at room temperature, which is found to be larger than that of graphene ( 3 脳 10⁵ cm² V^鈥? s^鈥?).

Keywords:

carrier mobility; graphyne; Dirac cone; first-principles