English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Tools annual

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools monthly

Global: Zendy Plus monthly

Presents the access of premium content as premium feature

Premium Content

Global: Zendy Plus annual

Global: Zendy Free Plan

Recently, a new layered-ternary compound V 2 SnC was successfully synthesised by reacting V, Sn, and C powder mixture at 1000°C. Its space group was identified as  P 6 3/mmc . In this work, the structural, mechanical properties, and thermal conductivity of this new layered-ternary compound have been studied under pressure up to 100 GPa by density functional theory. The calculated lattice parameters and cell volume of V 2 SnC at the ground state are in good coincidence with the experimental values. With the increase of pressure, the  a -axis of V 2 SnC crystal structure has greater compressibility than the  c -axis. In addition, the calculated results of elastic constants and phonon dispersion curves indicated that V 2 SnC is mechanically and dynamically stable from 0 to 100 GPa. Furthermore, the influence of pressure on bulk modulus  B , shear modulus  G , aggregate acoustic velocities  v m, Debye temperature  Θ D, Poisson’s ratio  σ , and Grüneisen parameter  γ  are systematically investigated. Meanwhile, the elastic anisotropy of V 2 SnC under external pressure is also studied for the first time. Finally, the minimum thermal conductivity of V 2 SnC under external pressure is further studied. The results show that this material has good thermal insulation performance.

Pressure effects on structure, mechanical properties and thermal conductivity of V 2 SnC: a first-principles study