Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1591301 | Solid State Communications | 2016 | 5 Pages |
•We consider the mechanical properties of SiC Graphene sheet, for instance the Young’s modulus and Bulk’s modulus and Poisson’s ratio.•The influence of temperature on both Young’s and Bulk modulus is investigated as well as variations of phonon energy versus temperature.•We compare the value of Young’s modulus, Bulk’s modulus and Poisson’s ratio with other theoretical and experimental studies.
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.