Structural, electronic and mechanical properties of (NbxTi1−x)2SC and (NbxZr1−x)2SC (0⩽x⩽1) from first-principles investigations

Title
Structural, electronic and mechanical properties of (NbxTi1−x)2SC and (NbxZr1−x)2SC (0⩽x⩽1) from first-principles investigations
Authors
Keywords
First principles, MAX phase, Solid solution, Mechanical properties, Electronic and bonding properties
Journal
Computational and Theoretical Chemistry
Volume 1090, Issue -, Pages 58-66
Publisher
Elsevier BV
Online
2016-05-28
DOI
10.1016/j.comptc.2016.05.013

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