Elastic and mechanical properties of cubic diamond and silicon using density functional theory and the random phase approximation

The elastic constants play a central role in the regulation of the thermo-mechanical and anisotropic response of materials. Nevertheless, there is still a lack of theoretical and experimental data on these constants which limits the possibility of developing new materials with targeted mechanical re...

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Veröffentlicht in:	Solid state communications 2021-02, Vol.324, p.114136, Article 114136
Hauptverfasser:	Barhoumi, M., Rocca, D., Said, M., Lebègue, S.
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemical Sciences Density functional theory Diamond Elastic constants First-principles Mechanical properties Physics Poisson’s ratio RPA Shear modulus Silicon Young’s modulus
Online-Zugang:	Volltext
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