Barium carbodiimide (BaCN₂) is an inorganic ceramic compound combining barium with a carbodiimide anion, representing an emerging class of nitrogen-rich ceramics with potential for high-temperature and structural applications. This material remains largely in the research phase, with interest driven by its thermal stability and rigid crystal structure; it belongs to a family of non-oxide ceramics being explored as alternatives to traditional oxides where improved mechanical performance or chemical resistance is needed. While industrial adoption remains limited, BaCN₂ exemplifies the growing push toward designing advanced ceramics with tailored bonding for next-generation applications in extreme environments.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 56.78 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3300 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 25.37 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 3.561 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 2.872 | eV | DFT · OptB88vdW | ||
| ↳ | 5.070 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 3.664 | - | DFT · OptB88vdW | ||
| ↳ | 2.993 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.6333 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 1.753 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000900 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00298 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -139.3 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 422.7 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 0.000 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.8790 | eV/atom | DFT · OptB88vdW |
Reference data from cited sources. Not verified or certified by MatWorld Inc. Verify against the source before use in design. Terms: engineering data