An Ab Initio Study of Pressure-Induced Reversal of Elastically Stiff and Soft Directions in YN and ScN and Its Effect in Nanocomposites Containing These Nitrides

An Ab Initio Study of Pressure-Induced Reversal of Elastically Stiff and Soft Directions in YN and ScN and Its Effect in Nanocomposites Containing These Nitrides

Using quantum-mechanical calculations of second- and third-order elastic constants for YN and ScN with the rock-salt (B1) structure, we predict that these materials change the fundamental type of their elastic anisotropy by rather moderate hydrostatic pressures of a few GPa. In particular, YN with i...

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Bibliographic Details
Main Authors: Martin Friák, Pavel Kroupa, David Holec, Mojmír Šob
Format: Article
Language:English
Published: MDPI AG 2018-12-01
Series:Nanomaterials
Subjects:
YN
ScN
pressure
elasticity
ab initio
stability
nanocomposites
Online Access:https://www.mdpi.com/2079-4991/8/12/1049

Internet

https://www.mdpi.com/2079-4991/8/12/1049

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