Density functional theory was used to investigate the unit structure of Sr2BTaO6 (B= Sb, Bi)
double perovskite oxides. The full‐potential linearized augmented plane wave technique is …

Improving the strength of CoCrFeNi high entropy alloy with a face-centered cubic structure
has been a subject of significant research in recent years. However, most strengthening …

Laves phase and laves-phase based conventional composites usually show extreme
brittleness at room temperature due to poor fracture toughness. However, in this work, we …

Based on the first-principle calculation, the micromechanism in fracture toughness of the
NbCr 2 Laves phase improved by Nickel alloying was estimated by several parameters such …

The hardness and indentation cracking at room temperature as well as the yield and creep
at high temperatures in the range 800–1400° C have been studied for various Laves phases …

Non-toxic (lead-free) inorganic perovskites have seized the leading position in the race for
the commercialization of solar cells and other photovoltaic devices. The present study is the …

The high-temperature phase stability of the NbCr 2 Laves phase has not yet been
established beyond disagreement. The well accepted C14 phase field has been eliminated …

The structural, elastic, electronic and thermodynamic properties of the rhombohedral
topological insulator Bi2Se3 are investigated by the generalized gradient approximation …

We have studied the structural, electronic, elastic, magnetic, thermal and thermodynamic
properties of the quaternary Heusler alloys Cr 2 GdSi 1− x Ge x (x= 0, 0.25, 0.5, 0.75, 1) with …

The effect of composition on the ternary (NbCr2–TiCr2) C15 phase properties has been
investigated, focusing upon the defect structure, elastic properties, and mechanical …