Theoretical prediction of the fundamental properties for the ternary MgYZn and Mg 0.9 YZn 1.06 alloys
Computational Materials Science（2014）
Abstract
•We investigated the structural property of Mg–Y–Zn by using first-principles.•We calculated the elastic property and the bulk modulus of Mg–Y–Zn.•We discussed the mechanical properties of the Mg–Y–Zn.•We studied the thermodynamic properties for Mg–Y–Zn.
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Key words
Electronic properties,Elastic properties,Thermodynamic properties,Minimum thermal conductivity
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