SOME PHYSICAL PROPERTIES OF HALF-HEUSLER COMPOUND NaYSi : FIRST-PRINCIPLES STUDY
The structural, electronic, elastic and optic properties of NaYSi formed in the half-Heusler structure are studied by using ab-initio density-functional theory.The calculated equilibrium lattice constants are compaired with CLOVE BUD the available experimental and theoretical data.The elastic parameters have calculated.Computed elastic results prov