Ba2ZrS4
metalBa2ZrS4 is a barium zirconium sulfide compound belonging to the ternary metal chalcogenide family, synthesized primarily for research applications rather than established industrial production. This material is of interest in solid-state chemistry and materials science due to its layered crystal structure and moderate mechanical properties, with potential applications in thermoelectric devices, photovoltaic absorbers, and solid-state electrolytes where sulfide-based compounds offer advantages in ionic conductivity or band-gap engineering. The relatively low exfoliation energy suggests this compound may be amenable to mechanical or chemical exfoliation into lower-dimensional forms, making it attractive for exploratory work in 2D materials and heterostructure applications.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K)2 entries | 8,068.7 | ksi | — | ||
| ↳ | 8,745.8 | ksi | — | ||
Exfoliation Energy(Eexf) | 221.5 | meV/atom | — | ||
Poisson's Ratio(ν) | 0.2900 | - | — | ||
Shear Modulus(G)2 entries | 4,117.7 | ksi | — | ||
| ↳ | 4,655.7 | ksi | — |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1509 | lb/in³ | — |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 0.6720 | eV | — | ||
Dielectric Constant (Relative Permittivity)(εr) | 35.84 range 8.308–63.36median of 2 measurements | - | — | ||
Magnetic Moment(μB) | 0.000 | µB | — | ||
Seebeck Coefficient(S) | -97.82 | µV/K | — |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.00410 | eV/atom | — | ||
Formation Energy(ΔHf) | -2.090 | eV/atom | — |