First Principles Investigation of Binary Chromium Carbides Cr<sub>7</sub>C<sub>3</sub>, Cr<sub>3</sub>C<sub>2</sub> and Cr<sub>23</sub>C<sub>6</sub>: Electronic Structures, Mechanical Properties and Thermodynamic Properties under Pressure

First Principles Investigation of Binary Chromium Carbides Cr<sub>7</sub>C<sub>3</sub>, Cr<sub>3</sub>C<sub>2</sub> and Cr<sub>23</sub>C<sub>6</sub>: Electronic Structures, Mechanical Properties and Thermodynamic Properties under Pressure

Binary chromium carbides display excellent wear resistance, extreme stiffness and oxidation resistance under high temperature. The influence of applied pressure on electronic structure, elastic behavior, Debye temperature and hardness of Cr<sub>7</sub>C<sub>3</sub>, Cr<sub...

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Bibliographic Details
Main Authors: Liang Sun, Xiongshuai Ji, Liang Zhao, Wenyan Zhai, Liujie Xu, Hui Dong, Yanmin Liu, Jianhong Peng
Format: Article
Language:English
Published: MDPI AG 2022-01-01
Series:Materials
Subjects:
binary chromium carbides (Cr<sub>7</sub>C<sub>3</sub>
Cr<sub>3</sub>C<sub>2</sub>
Cr<sub>23</sub>C<sub>6</sub>)
first-principles
electronic structure
elastic properties
Online Access:https://www.mdpi.com/1996-1944/15/2/558

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