Hf2Se3S3 is a mixed-anion ceramic compound combining hafnium with selenium and sulfur, representing an emerging class of layered chalcogenide materials. This composition is primarily of research interest for potential applications in thermoelectric energy conversion and solid-state electronics, where mixed-anion systems offer tunable bandgaps and phonon scattering properties that can outperform traditional single-anion alternatives. Engineers investigating next-generation thermal management or low-temperature power generation may evaluate this material family for its potential to balance electrical conductivity with thermal resistance.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 6.295 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.5330 | eV | DFT · OptB88vdW | ||
| ↳ | 1.042 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 10.50 | - | DFT · OptB88vdW | ||
| ↳ | 7.923 | - | DFT · TBmBJ | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 32.18 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.06710 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.153 | 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