Article ID Journal Published Year Pages File Type
1562222 Computational Materials Science 2011 8 Pages PDF
Abstract
► The structural stabilities, elastic and thermodynamic properties of ScS and ScSe have been predicted. ► Both compounds undergo a structural phase transition from B1 to B2-type phase. ► Linear pressure dependence of the bulk modulus and elastic constants for these compounds is found. ► Polycrystalline ScS and ScSe elastic parameters have been obtained. ► By analyzing the elastic constant and their related properties both compounds are found brittle in nature.
Related Topics
Physical Sciences and Engineering Engineering Computational Mechanics
Authors
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