Ohmic contacts in MXene/MoSi2N4 heterojunctions

Zhang，Xiang1; Zheng，Jun Yue1; Xiang，Yu Cui1; Wu，Di1; Fan，Jing2; Sun，Yi Yang3; Chen，Li Juan4; Gan，Li Yong1; Zhou，Xiaoyuan1

2023-07-10

10.1063/5.0155310

Applied Physics Letters   Impact Factor & Quartile

0003-6951

1077-3118

Efficient Ohmic contacts are highly preferred in metal/semiconductor (M/S) junctions to achieve the exceptional intrinsic characteristics of the two-dimensional (2D) semiconductor channel. However, due to the strong Fermi level pinning effect, it is difficult to predict the Schottky barrier heights of heterojunctions, especially those between the M/S electrode and the channel region (i.e., the lateral Schottky barrier heights), which severely hampers the rational design of Ohmic contact. Herein, by using first-principles quantum transport simulations, it is found that the difference between the intrinsic band edges of pristine MoSiN and the work function of pristine MXenes plays a major role in the Schottky barrier heights of vertical contacts. Furthermore, phase diagrams of Schottky barrier heights dependent on metal work function are established, which can facilitate the screening of Ohmic contacts. By selecting nine MXene/MoSiN heterojunctions as demos, it is found that WN(OH) and VC(OH) form n-type Ohmic contacts to MoSiN in both vertical and lateral directions with 100% tunneling probabilities due to their ultralow work functions, while p-type Ohmic contacts are formed between MoSiN and VCO, VCO, or TiNO due to their relatively large work functions. Our findings not only demonstrate great potential of fabricating coherent dopant-free all-2D devices based on MXene/MoSiN contacts but also more importantly deliver a general strategy for fast screening efficient Ohmic contacts.

SCI

English

NI Journal Papers ; NI论文

Others

National Science Foundation of China["52125103","52071041","12074048","12147102"] ; Science Foundation of Donghai Laboratory[DH-2022KF0307] ; Chongqing Natural Science Foundation["cstc2020jcyj-msxmX0777","cstc2020jcyj-msxmX0796"] ; Opening Project of State Key Laboratory of High Performance Ceramics and Superfine Microstructure[SKL202110SIC]

Physics

Physics, Applied

WOS:001030391500001

AIP Publishing

PHYSICS

2-s2.0-85165224078

Scopus

1.College of Physics,Center for Quantum Materials and Devices,Chongqing University,Chongqing,401331,China
2.Center for Computational Science and Engineering,Southern University of Science and Technology,Shenzhen,518055,China
3.State Key Laboratory of High Performance Ceramics and Superfine Microstructure,Shanghai Institute of Ceramics,Chinese Academy of Sciences,Shanghai,201899,China
4.School of Physics,South China University of Technology,Guangzhou,510640,China

Zhang，Xiang,Zheng，Jun Yue,Xiang，Yu Cui,et al. Ohmic contacts in MXene/MoSi2N4 heterojunctions[J]. Applied Physics Letters,2023,123(2).

Zhang，Xiang.,Zheng，Jun Yue.,Xiang，Yu Cui.,Wu，Di.,Fan，Jing.,...&Zhou，Xiaoyuan.(2023).Ohmic contacts in MXene/MoSi2N4 heterojunctions.Applied Physics Letters,123(2).

Zhang，Xiang,et al."Ohmic contacts in MXene/MoSi2N4 heterojunctions".Applied Physics Letters 123.2(2023).