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The contact of metal and semiconductor can lead to the formation of a junction with either Schottky or Ohmic behavior.
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Fibrous joints are a type of joint where the bones are connected by fibrous connective tissue. These joints provide stability and minimal to no movement between the articulating bones. There are three types of fibrous joints.
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Biasing metal-semiconductor junctions involves applying a voltage across the junction. Specifically, the metal is connected to a voltage source, while the semiconductor is grounded. This technique is essential for controlling the direction and magnitude of current flow in electronic devices, including diodes, transistors, and photovoltaic cells.
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Contact engineering for 2D Janus MoSSe/metal junctions.

Yu Shu1, Ting Li1, Naihua Miao2

  • 1Multiscale Computational Materials Facility, College of Materials Science and Engineering, Fuzhou University, Fuzhou 350108, P. R. China. bssa@fzu.edu.cn.

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High Schottky barriers in 2D materials hinder electronic devices. This study demonstrates controllable Ohmic contacts using Janus MoSSe and 2D metals, enabling better carrier injection and transport for advanced electronics.

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Nanotechnology

Background:

  • Two-dimensional (2D) materials offer unique electronic properties for atomic-thickness devices.
  • High Schottky barriers at metal-2D semiconductor interfaces limit carrier injection and transport efficiency, hindering practical applications.

Purpose of the Study:

  • To investigate methods for controllably reducing or eliminating Schottky barriers in Janus MoSSe-based heterostructures.
  • To explore the formation of Ohmic or quasi-Ohmic contacts between Janus MoSSe and various 2D van der Waals metals.

Main Methods:

  • Density functional theory (DFT) calculations.
  • Machine learning (ML) modeling, specifically the sure-independence-screening-and-sparsifying-operator method.
  • Analysis of band alignment, interface dipoles, and Fermi-level pinning effects.

Main Results:

  • Achieved a transition from Schottky to Ohmic/quasi-Ohmic contact in MoSSe/2D metal heterostructures.
  • Identified interface dipoles and Fermi-level pinning as key factors deviating from the Schottky-Mott limit.
  • Demonstrated that MoSSe thickness and biaxial strain are effective tuning parameters for contact engineering.

Conclusions:

  • Controllable Ohmic contacts can be realized in Janus MoSSe-based metal-semiconductor junctions (MSJs).
  • A general descriptor (WM3/exp(Dint)) was developed for predicting Schottky barrier heights.
  • Provides theoretical guidance for designing high-performance electronic devices utilizing Janus MoSSe semiconductors.