The several physical features including structural, mechanical, electronic, optical and
thermal properties of Pt 3 Ti and Pt 3 Cu have investigated here hypothetically for the first …

Pt-non-precious transition metals (Pt-NPTMs) alloy electrocatalysts have gained
considerable attention to develop cheaper and efficient electrocatalysts for oxygen reduction …

Different significant properties as example structural stability, stiffness constants, hardness,
machinable index, band structure, interatomic bonding, optical, as well as thermal behavior …

Electronic, mechanic and lattice dynamic properties of yttrium-based compounds, X 3Y,
where X= Pd, Pt and Rh were investigated using the density functional theory. The electronic …

The ternary copper-based chalcogenides Cu3TMCh4 (TM= Cr, Fe and Ch= S, Se, Te),
which have simple cubic (SC) crystal structure and conform to P 4¯ 3 m space group with …

In this study, ab-initio calculations were used to examine and to understand in depth the
structural elastic, electronic and thermodynamic properties of the perovskite LaZnO3 …

Ab initio calculations based on the density functional theory (DFT) have been used to predict
the structural stability, mechanical, phonon and electronic properties of Pd3Zr compound in …

Pt based alloys are one of the most important intermetallic materials with widespread
applications. In this article, we have investigated the structural stability, elastic modulus, and …

The structural, elastic and related properties, electronic properties, thermodynamic, and
vibrational properties of the V 3 X (X= Fe, Co, Ni) intermetallic compounds using the plane …

The full potential linearized augmented plane wave (FP-LAPW) method was used to
investigate the ground states as well as the mechanical, electronic, magnetic and optical …