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Calculations of Structural, Elastic, Electronic, Magnetic and Phonon Properties of FeNiMnAl by the First Principles
(AMER INST PHYSICS, 2014)
The electronic, elastic and dynamical properties of the quaternary alloy FeNiMnAl have been investigated using a pseudopotential plane wave method within the generalized gradient approximation (GGA). We determined the ...
Structural, Elastic, Electronic and Phonon Properties of SnX2O4 (X=Mg, Zn, Cd) Spinel from Density Functional Theory
(AMER INST PHYSICS, 2014)
First-principle calculations of structural, electronic, elastic and phonon properties of SnMg2O4, SnZn2O4 and SnCd2O4 compounds are presented, using the pseudo-potential plane waves approach based on density functional ...