LE QUY DON
Technical University
VietnameseClear Cookie - decide language by browser settings

Achieving ultra-low contact barriers in MX2/SiH (M = Nb, Ta; X = S, Se) metal-semiconductor heterostructures: first-principles prediction

Nguyen, S.T. and Nguyen, C.V. and Phuc, H.V. and Hieu, N.N. and Nguyen, C.Q. (2024) Achieving ultra-low contact barriers in MX2/SiH (M = Nb, Ta; X = S, Se) metal-semiconductor heterostructures: first-principles prediction. Nanoscale Advances. ISSN 25160230

Full text not available from this repository. (Upload)

Abstract

Minimizing the contact barriers at the interface, forming between two different two-dimensional metals and semiconductors, is essential for designing high-performance optoelectronic devices. In this work, we design different types of metal-semiconductor heterostructures by combining 2D metallic MX2 (M = Nb, Hf; X = S, Se) and 2D semiconductor SiH and investigate systematically their electronic properties and contact characteristics using first principles calculations. We find that all the MX2/SiH (M = Nb, Ta; X = S, Se) heterostructures are energetically stable, suggesting that they could potentially be synthesized in the future. Furthermore, the generation of the MX2/SiH metal-semiconductor heterostructures leads to the formation of the Schottky contact with ultra-low Schottky barriers of a few tens of meV. This finding suggests that all the 2D MX2 (M = Nb, Ta; X = S, Se) metals act as effective electrical contact 2D materials to contact with the SiH semiconductor, enabling electronic devices with high charge injection efficiency. Furthermore, the tunneling resistivity of all the MX2/SiH (M = Nb, Ta; X = S, Se) MSHs is low, confirming that they exhibit high electron injection efficiency. Our findings underscore fundamental insights for the design of high-performance multifunctional Schottky devices based on the metal-semiconductor MX2/SiH heterostructures with ultra-low contact barriers and high electron injection efficiency. © 2024 RSC.

Item Type: Article
Divisions: Offices > Office of International Cooperation
Identification Number: 10.1039/d4na00482e
Uncontrolled Keywords: Efficiency; Heterojunctions; Niobium compounds; Optoelectronic devices; Schottky barrier diodes; Silicon; Silicon compounds, Contact barrier; Electrons injection; First principles; Injection efficiency; Metal-semiconductor heterostructures; Metallics; Optoelectronics devices; Performance; Two-dimensional metals; Two-dimensional semiconductors, Electronic properties
URI: http://eprints.lqdtu.edu.vn/id/eprint/11330

Actions (login required)

View Item
View Item