Stable GaSe-Like Phosphorus Carbide Monolayer with Tunable Electronic and Optical Properties from Ab Initio Calculations

Stable GaSe-Like Phosphorus Carbide Monolayer with Tunable Electronic and Optical Properties from Ab Initio Calculations

On the basis of density functional theory (DFT) calculations, we propose a stable two-dimensional (2D) monolayer phosphorus carbide (PC) with a GaSe-like structure, which has intriguing electronic and optical properties. Our calculated results show that this 2D monolayer structure is more stable tha...

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Bibliographic Details
Main Authors: Xiaolin Cai, Zhili Zhu, Weiyang Yu, Chunyao Niu, Jianjun Wang, Baoji Wang, Xiaohua Li, Liwei Zhang, Ruiqi Zhao, Yu Jia
Format: Article
Language:English
Published: MDPI AG 2018-10-01
Series:Materials
Subjects:
density functional theory
GaSe-like structure
phosphorus carbide monolayer
electronic structures
optical properties
vacancy
magnetism
Online Access:http://www.mdpi.com/1996-1944/11/10/1937

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http://www.mdpi.com/1996-1944/11/10/1937

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