The temperature effect on mechanical properties of silicon carbide sheet based on density functional treatment

被引：9

作者：

Faghihnasiri, Mahdi ^{[1
]}

Rezvani, Mahyar ^{[1
]}

Shabani, Mostafa ^{[2
]}

Firouzian, Amir Hossein ^{[3
]}

机构：

[1] Islamic Azad Univ, Cent Tehran Branch, Young Researchers & Elite club, Tehran, Iran

[2] Univ Shahrood, Dept Phys, Shahrood, Iran

[3] KN Toosi Univ Technol, Dept Phys, Tehran, Iran

来源：

SOLID STATE COMMUNICATIONS | 2016年 / 227卷

关键词：

Silicon carbide sheet; Mechanical properties; Young's modulus; Density functional theory; GRAPHENE SHEETS; CARBON NANOTUBES; MODULUS MEASUREMENTS; PERTURBATION-THEORY; ELASTIC PROPERTIES; YOUNGS MODULUS; ELECTRIC-FIELD; HIGH-QUALITY; AB-INITIO; FILMS;

D O I：

10.1016/j.ssc.2015.11.014

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

In the current work, mechanical properties of SiC graphene sheet and influence of temperature on those properties are studied. The purpose of this work is to investigate the temperature dependency of the Young's modulus and Bulk's modulus of SiC graphene sheet. To reach these goals, density functional theory (DFT) and quasi -harmonic approximation (QHA) methods are used to calculate energies of electrons and phonons, and consequently to obtain total energy of system. Results have been compared with existing data from literature and good agreement has been found. It is found that the effect of temperature on the mechanical properties of the SiC graphene sheet is significant. (C) 2015 Elsevier Ltd. All rights reserved.

引用

页码：40 / 44

页数：5

共 50 条

[1] Elastic and mechanical properties of aluminium and silicon carbide using density functional theory and beyond
Barhoumi, M.
Sfina, N.
Said, M.
Znaidia, S.
SOLID STATE COMMUNICATIONS, 2021, 334
[2] Mechanical properties of carbon, silicon carbide, and boron nitride nanotubes: effect of ionization
Petrushenko, Igor K.
Petrushenko, Konstantin B.
MONATSHEFTE FUR CHEMIE, 2015, 146 (10): : 1603 - 1608
[3] Density Functional Calculations on Silicon Carbide Nanostructures
Zhao, Yanfei
Hou, Tingjun
Wu, Liang
Li, Youyong
Lee, Shuit-Tong
JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, 2012, 9 (11) : 1980 - 1998
[4] Mechanical properties of group IV single-walled nanotubes: a finite element approach based on the density functional theory
Dastmard, M.
Ansari, R.
Rouhi, S.
JOURNAL OF MOLECULAR MODELING, 2021, 27 (06)
[5] Mechanical Properties of Crystalline Silicon Carbide Nanowires
Zhang, Huan
Ding, Weiqiang
Aidun, Daryush K.
JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY, 2015, 15 (02) : 1660 - 1668
[6] Mechanical properties of carbon, silicon carbide, and boron nitride nanotubes: effect of ionization
Igor K. Petrushenko
Konstantin B. Petrushenko
Monatshefte für Chemie - Chemical Monthly, 2015, 146 : 1603 - 1608
[7] Density Functional Theory Study on the Mechanical Properties and Interlayer Interactions of Multi-layer Graphene: Carbonic, Silicon-Carbide and Silicene Graphene-like Structures
Ahangari, Morteza Ghorbanzadeh
Salmankhani, Azam
Imani, Amir Hossein
Shahab, Navid
Mashhadzadeh, Amin Hamed
SILICON, 2019, 11 (03) : 1235 - 1246
[8] High-temperature mechanical and thermodynamic properties of silicon carbide polytypes
Xu, Wei-Wei
Xia, Fangfang
Chen, Lijie
Wu, Meng
Gang, Tieqiang
Huang, Yongfang
JOURNAL OF ALLOYS AND COMPOUNDS, 2018, 768 : 722 - 732
[9] Elastic and mechanical properties of cubic diamond and silicon using density functional theory and the random phase approximation
Barhoumi, M.
Rocca, D.
Said, M.
Lebegue, S.
SOLID STATE COMMUNICATIONS, 2021, 324
[10] Low density biomorphic silicon carbide:: microstructure and mechanical properties
Varela-Feria, FM
Martínez-Fernández, J
de Arellano-López, AR
Singh, M
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY, 2002, 22 (14-15) : 2719 - 2725

← 1 2 3 4 5 →