Tl3VS4 is a ternary semiconductor compound composed of thallium, vanadium, and sulfur, belonging to the family of metal chalcogenides. This material is primarily of research interest rather than established in widespread industrial production, with potential applications in solid-state electronics and optoelectronics where its semiconductor properties could enable novel device designs. The compound's notable characteristics within the chalcogenide family—including its layered crystal structure and tunable electronic properties—make it a candidate for exploring advanced semiconducting materials, particularly for applications requiring materials with distinct electronic behavior compared to conventional group IV or III-V semiconductors.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 27.57 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3900 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 9.760 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 6.043 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)3 entries | 1.970 | eV | Measured | ||
| ↳ | 1.892 | eV | DFT · OptB88vdW | ||
| ↳ | 1.809 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr)2 entries | 19.50 | - | DFT · OptB88vdW | ||
| ↳ | 23.39 | - | DFT · PBE | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 9.204 | - | DFT · OptB88vdW | ||
| ↳ | 8.465 | - | DFT · TBmBJ | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Electron Effective Mass(m*e) | 1.920 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 1.710 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij)2 entries | 0.1681 | C/m² | DFT · OptB88vdW | ||
| ↳ | 0.2388 | C/m² | DFT · PBE | ||
Piezoelectric Stress Tensor(eij) | Matrix (redacted) | C/m² | DFT · PBE | ||
Thermoelectric Power Factor(PF)2 entries | 0.00158 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00221 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -387.5 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 411.5 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 27.20 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.6954 | 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