TY - JOUR
T1 - Modulating the Schottky barriers in MoS 2 /MXenes heterostructures via surface functionalization and electric field
AU - Peng, Qiong
AU - Si, Chen
AU - Zhou, Jian
AU - Sun, Zhimei
N1 - Publisher Copyright:
© 2019 Elsevier B.V.
PY - 2019/6/30
Y1 - 2019/6/30
N2 - Controlling the Schottky barriers (SB) in semiconductor/metal heterostructures is greatly vital to improve the performance of field effect transistors. Yet the modulation mechanisms have not been well understood. In this work, on the basis of first-principles calculations, we have demonstrated that both surface functionalization and external electric fields (E ext ) play significant roles in modulating the contact types (n-type or p-type) and SB heights at the interface by using the contact between MoS 2 and Nb 2 C-based MXenes as a case study. The results show that weak van der Waals (vdW) interactions dominate between the interlayer. Importantly, the n-type SB-free contact is available in OH-terminated Nb 2 C/MoS 2 heterostructure and continuously controllable p-type SB is found in the MoS 2 /Nb 2 CO 2 and MoS 2 /Nb 2 CF 2 heterostructures under proper vertical E ext strength. We unraveled that the modulation of Schottky barrier originates from the tunable metal work function induced by functionalized termination and the variable interface potential step induced by external electric field. Our work provides important clues for contact engineering and improvement of the MoS 2 device performance.
AB - Controlling the Schottky barriers (SB) in semiconductor/metal heterostructures is greatly vital to improve the performance of field effect transistors. Yet the modulation mechanisms have not been well understood. In this work, on the basis of first-principles calculations, we have demonstrated that both surface functionalization and external electric fields (E ext ) play significant roles in modulating the contact types (n-type or p-type) and SB heights at the interface by using the contact between MoS 2 and Nb 2 C-based MXenes as a case study. The results show that weak van der Waals (vdW) interactions dominate between the interlayer. Importantly, the n-type SB-free contact is available in OH-terminated Nb 2 C/MoS 2 heterostructure and continuously controllable p-type SB is found in the MoS 2 /Nb 2 CO 2 and MoS 2 /Nb 2 CF 2 heterostructures under proper vertical E ext strength. We unraveled that the modulation of Schottky barrier originates from the tunable metal work function induced by functionalized termination and the variable interface potential step induced by external electric field. Our work provides important clues for contact engineering and improvement of the MoS 2 device performance.
KW - Controllable Schottky barriers
KW - External electric field
KW - MoS /MXenes interfaces
KW - Surface functionalization
UR - https://www.scopus.com/pages/publications/85062258299
U2 - 10.1016/j.apsusc.2019.02.249
DO - 10.1016/j.apsusc.2019.02.249
M3 - 文章
AN - SCOPUS:85062258299
SN - 0169-4332
VL - 480
SP - 199
EP - 204
JO - Applied Surface Science
JF - Applied Surface Science
ER -