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Now showing items 11-13 of 13
Stability and Anisotropic Elastic Properties of a Hexagonal δ-WN Compound
(Springer, 2022)
In this work, we have examined the structural, phonon and anisotropic elastic properties of a hexagonal δ-WN compound via density functional theory. The obtained structural parameters and mechanical properties are in ...
Physical insights on the ultralow thermal conductivity of Ag8XSe6 (X = Si, Ge, and Sn)
(2022)
We have investigated the origins of ultralow thermal conductivity behavior in Ag8XSe6 (X = Si, Ge, and Sn) argyrodites compounds in orthorhombic Pmn21 structure by exploring mechanical and lattice dynamical properties using ...
Prediction of new stable crystal structures for ternary ErAgTe2 and YAgTe2 semiconductors: Ab initio study
(Elsevier Masson s.r.l., 2023)
The crystal structure, electronic, mechanical, and phonon properties of rare-earth ErAgTe2 and YAgTe2 compounds have been investigated using first-principles calculations based on density functional theory. We consider ...
