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Computational investigations of mechanic, electronic and lattice dynamic properties of yttrium based compounds
(World Scientific Publ Co Pte Ltd, 2018)
Electronic, mechanic and lattice dynamic properties of yttrium-based compounds, X3Y, where X = Pd, Pt and Rh were investigated using the density functional theory. The electronic band calculations demonstrated that X3Y ...
Investigation of the Mechanical, Electronic and Phonon Properties of X2ScAl (X = Ir, Os, and Pt) Heusler Compounds
(KOREAN PHYSICAL SOC, 2020)
In the present study, the second-order elastic constants and the electronic band structures of the X2ScAl (x= Ir, Os, and Pt) compounds crystallized in the L2(1)phase were calculated separately by using theab-initiodensity ...