A New BCN Compound with Monoclinic Symmetry: First-Principle Calculations

A New BCN Compound with Monoclinic Symmetry: First-Principle Calculations

In this study, we predicted and investigated a new light-element compound B-C-N in <i>Pm</i> phase, denoted as <i>Pm</i>-BCN, using density functional theory. <i>Pm</i>-BCN is mechanically, dynamically, and thermodynamically stable. The elastic moduli of <i>...

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Bibliographic Details
Main Authors: Zhenyang Ma, Chunzhi Tang, Chunlei Shi
Format: Article
Language:English
Published: MDPI AG 2022-04-01
Series:Materials
Subjects:
carbon allotropes
semiconductor material
electronic properties
anisotropy mechanical properties
Online Access:https://www.mdpi.com/1996-1944/15/9/3186

Internet

https://www.mdpi.com/1996-1944/15/9/3186

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