Monolayer Phosphorene-Metal Contacts
Monolayer Phosphorene-Metal Contacts
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DOI：
10.1021/acs.chemmater.5b04899
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发表时间：
2016-04-12
影响因子：
8.6
通讯作者：
Lu, Jing
中科院分区：
文献类型：
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作者：
Pan, Yuanyuan;Wang, Yangyang;Lu, Jing
最近，磷烯电子和光电原型器件已经制造了各种金属电极。我们系统地探索了第一次单层（ML）磷烯与一系列常用的金属在晶体管中的接触性能，通过使用从头算电子结构计算和更可靠的量子输运模拟。ML磷烯在被检查的金属下进行金属化，并且金属化的ML磷烯与通道ML磷烯具有不可忽略的耦合。ML磷烯与Au、Cu、Cr、Al和Ag电极形成n型肖特基接触，并且在包含这种耦合时与Ti、Ni和Pd电极形成p型肖特基接触。计算的肖特基势垒高度与现有的实验数据与镍和钛作为电极。我们的研究结果不仅提供了一个洞察ML磷烯金属界面，但也有助于ML磷烯为基础的器件设计。
Recently, phosphorene electronic and optoelectronic prototype devices have been fabricated with various metal electrodes. We systematically explore for the first time the contact properties of monolayer (ML) phosphorene with a series of commonly used metals in a transistor by using both ab initio electronic structure calculations and more reliable quantum transport simulations. ML phosphorene undergoes a metallization under the checked metals, and the metallized ML phosphorenes have an unnegligible coupling with channel ML phosphorene. ML phosphorene forms an n-type Schottky contact with Au, Cu, Cr, Al, and Ag electrodes and a p-type Schottky contact with Ti, Ni, and Pd electrodes upon inclusion of such a coupling. The calculated Schottky barrier heights are in good agreement with the available experimental data with Ni and Ti as electrodes. Our findings not only provide an insight into the ML phosphorene metal interfaces but also help in ML phosphorene based device design.