Stability, Elastic and Electronic Properties of Ta<sub>2</sub>N by First-Principles Calculations

Stability, Elastic and Electronic Properties of Ta<sub>2</sub>N by First-Principles Calculations

Owing to exploring the influence of the N atoms ordering in Ta<sub>2</sub>N compounds on their properties, the stability, elastic, and electronic properties of Ta<sub>2</sub>N compounds (Ta<sub>2</sub>N-I: <i>P ̅</i>3<i>m</i>l and Ta<sub...

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Bibliographic Details
Main Authors: Longpeng Zhu, Jiong Wang, Chenchen Dong, Yong Du, Shun-Li Shang, Zi-Kui Liu
Format: Article
Language:English
Published: MDPI AG 2021-04-01
Series:Crystals
Subjects:
first-principles calculations
Ta<sub>2</sub>N compounds
tantalum nitride
elastic properties
electronic structure
Online Access:https://www.mdpi.com/2073-4352/11/4/445

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https://www.mdpi.com/2073-4352/11/4/445

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