Structural and electronic properties of borophene and BC3 over H-diamond (100)

Alyana A. Carrell; Michael Groves; Mahesh R. Neupane

doi:10.1117/12.2682959

5 October 2023 Structural and electronic properties of borophene and BC₃ over H-diamond (100)

Alyana A. Carrell, Michael Groves, Mahesh R. Neupane

Proceedings Volume 12650, Physical Chemistry of Semiconductor Materials and Interfaces XXII; 1265002 (2023) https://doi.org/10.1117/12.2682959
Event: SPIE Nanoscience + Engineering, 2023, San Diego, California, United States

Conference Poster

Abstract

Diamond is semiconductor with unique properties and is under development to be employed in robust transistors. This study of Borophene and BC3 provides insight on their potential as acceptor layers over Hydrogenterminated diamond (100) (H-diamond(100))for use in diamond-based electronics. Boron-based 2D materials such as Borophene and BC3 resemble h-BN and graphene. While there has been significant recent interest in the distinctive structural and electronic properties of h-BN and graphene when interfaced with diamond surfaces, owing to their acceptor-like and contact-like characteristics, the structural and electronic interactions of borophene and BC3 with diamond in the formation of 2D/3D heterostructures remain unexplored. The goal of this work is to determine the structural and electronic properties of hydrogen terminated diamond 100 with borophene and BC3. This study used Density functional theory (DFT) calculations with Perdew–Burke-Ernzerhof(PBE) functional as implemented in GPAW and ASE framework to analyze structural and electronic properties. 2D-layers were optimized over H-diamond(100) and band structure calculation was conducted. An attempt is also made to compare the structural and electronic properties of Borophene/Diamond and BC3/Diamond heterostructures to relatively well-known hBN/Diamond heterostructure.

(2023) Published by SPIE. Downloading of the abstract is permitted for personal use only.

Citation Download Citation

Alyana A. Carrell, Michael Groves, and Mahesh R. Neupane "Structural and electronic properties of borophene and BC₃ over H-diamond (100)", Proc. SPIE 12650, Physical Chemistry of Semiconductor Materials and Interfaces XXII, 1265002 (5 October 2023); https://doi.org/10.1117/12.2682959

ACCESS THE FULL ARTICLE

INSTITUTIONAL
Select your institution to access the SPIE Digital Library.

SELECT YOUR INSTITUTION

PERSONAL
Sign in with your SPIE account to access your personal subscriptions or to use specific features such as save to my library, sign up for alerts, save searches, etc.

PERSONAL SIGN IN

No SPIE Account? Create one

PURCHASE THIS CONTENT

SUBSCRIBE TO DIGITAL LIBRARY

50 downloads per 1-year subscription

Members: $195

Non-members: $335 ADD TO CART

25 downloads per 1 - year subscription

Members: $145

Non-members: $250 ADD TO CART

PURCHASE SINGLE ARTICLE

Includes PDF, HTML & Video, when available