First-Principles Prediction of New 2D <i>p</i>-SiPN: A Wide Bandgap Semiconductor

First-Principles Prediction of New 2D <i>p</i>-SiPN: A Wide Bandgap Semiconductor

Pentagonal two-dimensional ternary sheets are an emerging class of materials because of their novel characteristic and wide range of applications. In this work, we use first-principles density functional theory (DFT) calculations to identify a new pentagonal SiPN, <i>p</i>-SiPN, which is...

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Bibliographic Details
Main Authors: Shambhu Bhandari Sharma, Issam Qattan, Santosh KC, Sufian Abedrabbo
Format: Article
Language:English
Published: MDPI AG 2022-11-01
Series:Nanomaterials
Subjects:
ab-initio
density functional theory
strain modulation
elastic properties
electronic properties
optical properties
Online Access:https://www.mdpi.com/2079-4991/12/22/4068

Internet

https://www.mdpi.com/2079-4991/12/22/4068

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