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 47 条

[21] Measurement of the elastic properties and intrinsic strength of monolayer graphene [J].

Lee, Changgu ;

Wei, Xiaoding ;

Kysar, Jeffrey W. ;

Hone, James .

SCIENCE, 2008, 321 (5887) :385-388

[22] Elastic moduli of multi-walled carbon nanotubes and the effect of van der Waals forces [J].

Li, CY ;

Chou, TW .

COMPOSITES SCIENCE AND TECHNOLOGY, 2003, 63 (11) :1517-1524

[23] Transformation strain by chemical disordering in silicon carbide [J].

Li, J .

JOURNAL OF APPLIED PHYSICS, 2004, 95 (11) :6466-6469

[24] Large-Area Synthesis of High-Quality and Uniform Graphene Films on Copper Foils [J].

Li, Xuesong ;

Cai, Weiwei ;

An, Jinho ;

Kim, Seyoung ;

Nah, Junghyo ;

Yang, Dongxing ;

Piner, Richard ;

Velamakanni, Aruna ;

Jung, Inhwa ;

Tutuc, Emanuel ;

Banerjee, Sanjay K. ;

Colombo, Luigi ;

Ruoff, Rodney S. .

SCIENCE, 2009, 324 (5932) :1312-1314

[25] Large reversible capacity of high quality graphene sheets as an anode material for lithium-ion batteries [J].

Lian, Peichao ;

Zhu, Xuefeng ;

Liang, Shuzhao ;

Li, Zhong ;

Yang, Weishen ;

Wang, Haihui .

ELECTROCHIMICA ACTA, 2010, 55 (12) :3909-3914

[26] Strong suppression of electrical noise in bilayer graphene nanodevices [J].

Lin, Yu-Ming ;

Avouris, Phaedon .

NANO LETTERS, 2008, 8 (08) :2119-2125

[27] Internal stress and elastic modulus measurements on micromachined 3C-SiC thin films [J].

Mehregany, M ;

Tong, LJ ;

Matus, LG ;

Larkin, DJ .

IEEE TRANSACTIONS ON ELECTRON DEVICES, 1997, 44 (01) :74-79

[28] Mechanical properties of graphene under molecular hydrogen physisorption: An ab initio study [J].

Mirnezhad, M. ;

Ansari, R. ;

Seifi, M. ;

Rouhi, H. ;

Faghihnasiri, M. .

SOLID STATE COMMUNICATIONS, 2012, 152 (10) :842-845

[29]

MONKHORST HJ, 1976, PHYS REV B, V13, P5188, DOI [10.1103/PhysRevB.13.5188, 10.1103/PhysRevB.16.1746]

[30] A roadmap for graphene [J].

Novoselov, K. S. ;

Fal'ko, V. I. ;

Colombo, L. ;

Gellert, P. R. ;

Schwab, M. G. ;

Kim, K. .

NATURE, 2012, 490 (7419) :192-200

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