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Elastic and mechanical properties of hexagonal diamond under pressure
(Springer Verlag, 2015)
Hexagonal diamond is the harder and stiffer alternative of traditional cubic diamond for today’s technology. Although several theoretical attempts have been performed to understand the ground-state elastic properties of ...
A Theoretical Investigation of the Effect of Pressure on the Structural, Elastic and Mechanical Properties of ZnS Crystals
(Springer New York LLC, 2015)
Structural, elastic, and mechanical properties of blende-type zinc sulfide (bt-ZnS) were investigated under pressures up to 20 GPa. Unlike previous theoretical calculations, an existing mixed-type interatomic potential was ...
Elastic and mechanical properties of cubic diamond under pressure
(Physical Society of the Republic of China, 2015)
We report on some structural, elastic, and mechanical properties of cubic diamond under pressures up to 500 GPa. Unlike existing theoretical works, the second-generation reactive bond order (REBO) potential was used for ...
Theoretical prediction of the structural, elastic, mechanical and phonon properties of bismuth telluride under pressure
(World Scientific Publishing Co. Pte Ltd, 2015)
Bismuth telluride (Bi2Te3) is one of the most intricate materials with its semiconducting, insulating and pressure-induced superconducting properties. Although different theoretical works have been carried out to understand ...