Insight into structural, electronic, elastic and thermal properties of A15-type Nb3X (X = Si, Ge, Sn and Pb) compounds

Exploring the electronic, mechanical, anisotropic, and optical properties of ternary silicides TM2Si2Ys (TM = Cu, Ir, Os, Pt, Pd, Rh, Ru) from a first principles investigations

“…The dielectric function ε(ω) can express detailed information of the materials. The physical quantity of dielectric function contains real part ε 1 (ω) and imaginary part ε 2 (ω), and can be described by the following formula: [49] ε ω…”

“…E n represents the energy of an electron in the nth state. The complex refractive index implies the most important optical constant of the absorptive medium, which can be expressed by the following formula: [49] N ω…”

Anisotropy in elasticity, sound velocity, thermal conductivity, and thermodynamics properties of dodecaboride Zr0.5Y0.5B12

“…Elastic anisotropy is an interesting physical parameter for the generation of microcracks formation and lattice deformation, which is important for applications such as hard protective coatings [24][25][26]. The universal elastic anisotropy index [27] and orientation dependence of three-dimensional (3D) elastic moduli are used to describe the anisotropy of a crystal.…”

Scanning the latent phases and superconductivity in the Nb–Pb system at high pressure

“…16,17 The only reported binary Nb-Pb intermetallic compound is Nb 3 Pb, which belongs to the A15 structure and has the same structure as Nb 3 Ge and Nb 3 Sn. 4,[18][19][20][21][22] Nb 3 Pb has been studied as a member of the Nb 3 X series of compounds, but it has been shown to be a non-superconducting substance that can only be synthesized at high pressure and temperature. 21 The Nb-Nb and Nb-Pb bonds in this Nb 3 Pb are considered to be ionic-covalent mixed bonds.…”

“…21 The Nb-Nb and Nb-Pb bonds in this Nb 3 Pb are considered to be ionic-covalent mixed bonds. 22 Up to now, few investigations have been reported on niobium-lead binary intermetallic compounds, which are expected to have very different properties compared to existing niobiumcarbon binary compounds, due to the distinct electronic properties of lead as compared to other carbon-group elements.…”